data_Li4Be3As3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36
_cell_length_b   8.36
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Be3As3ClO12
_chemical_formula_sum   'Li8 Be6 As6 Cl2 O24'
_cell_volume   583.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.75  0.75  0.61  1.0
  Li  Li1  1  0.93  0.93  0.43  1.0
  Li  Li2  1  0.61  0.61  0.61  1.0
  Li  Li3  1  0.43  0.43  0.43  1.0
  Li  Li4  1  0.75  0.61  0.75  1.0
  Li  Li5  1  0.93  0.43  0.93  1.0
  Li  Li6  1  0.61  0.75  0.75  1.0
  Li  Li7  1  0.43  0.93  0.93  1.0
  Be  Be8  1  0.0  0.09  0.18  1.0
  Be  Be9  1  0.27  0.18  0.0  1.0
  Be  Be10  1  0.18  0.0  0.27  1.0
  Be  Be11  1  0.0  0.27  0.18  1.0
  Be  Be12  1  0.18  0.0  0.09  1.0
  Be  Be13  1  0.09  0.18  0.0  1.0
  As  As14  1  0.0  0.18  0.27  1.0
  As  As15  1  0.18  0.27  0.0  1.0
  As  As16  1  0.27  0.0  0.18  1.0
  As  As17  1  0.18  0.09  0.0  1.0
  As  As18  1  0.0  0.18  0.09  1.0
  As  As19  1  0.09  0.0  0.18  1.0
  Cl  Cl20  1  0.0  0.0  0.0  1.0
  Cl  Cl21  1  0.18  0.18  0.18  1.0
  O  O22  1  0.96  0.22  0.19  1.0
  O  O23  1  0.78  0.98  0.31  1.0
  O  O24  1  0.31  0.57  0.37  1.0
  O  O25  1  0.37  0.31  0.57  1.0
  O  O26  1  0.16  0.39  0.22  1.0
  O  O27  1  0.05  0.78  0.37  1.0
  O  O28  1  0.05  0.57  0.98  1.0
  O  O29  1  0.16  0.96  0.13  1.0
  O  O30  1  0.98  0.05  0.57  1.0
  O  O31  1  0.39  0.22  0.16  1.0
  O  O32  1  0.31  0.78  0.98  1.0
  O  O33  1  0.22  0.16  0.39  1.0
  O  O34  1  0.57  0.37  0.31  1.0
  O  O35  1  0.39  0.13  0.19  1.0
  O  O36  1  0.57  0.98  0.05  1.0
  O  O37  1  0.19  0.96  0.22  1.0
  O  O38  1  0.13  0.16  0.96  1.0
  O  O39  1  0.98  0.31  0.78  1.0
  O  O40  1  0.19  0.39  0.13  1.0
  O  O41  1  0.13  0.19  0.39  1.0
  O  O42  1  0.78  0.37  0.05  1.0
  O  O43  1  0.96  0.13  0.16  1.0
  O  O44  1  0.22  0.19  0.96  1.0
  O  O45  1  0.37  0.05  0.78  1.0

data_Li4Be3As3ClO12
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.82
_cell_length_b   11.82
_cell_length_c   14.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Li4Be3As3ClO12
_chemical_formula_sum   'Li24 Be18 As18 Cl6 O72'
_cell_volume   1750.13
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  9  0.05  0.1  0.7  1.0
  Li  Li1  9  0.17  0.33  0.76  1.0
  Li  Li2  3  0.0  0.0  0.43  1.0
  Li  Li3  3  0.0  0.0  0.61  1.0
  Be  Be4  9  0.0  0.09  0.09  1.0
  Be  Be5  9  0.03  0.88  0.15  1.0
  As  As6  9  -0.0  0.91  0.09  1.0
  As  As7  9  0.03  0.15  0.15  1.0
  Cl  Cl8  3  0.0  0.0  0.0  1.0
  Cl  Cl9  3  0.0  0.0  0.18  1.0
  O  O10  9  0.04  0.49  0.53  1.0
  O  O11  9  0.05  0.12  0.09  1.0
  O  O12  9  0.05  0.69  0.73  1.0
  O  O13  9  0.07  0.9  0.13  1.0
  O  O14  9  0.09  0.38  0.69  1.0
  O  O15  9  0.13  0.1  0.26  1.0
  O  O16  9  0.15  0.11  0.42  1.0
  O  O17  9  0.15  0.05  0.24  1.0

Li Li Li Li Li Li Li Li Be Be Be Be Be Be As As As As As As Cl Cl O O O O O O O O O O O O O O O O O O O O O O O O
Li Li Li Li Li Li Li Li Be Be Be Be Be Be As As As As As As Cl Cl O O O O O O O O O O O O O O O O O O O O O O O O 0 2 o o o 0 6 o o o 0 4 o o o 1 23 o o o 1 27 + o o 1 30 o + o 2 6 o o o 2 4 o o o 3 25 o o o 3 24 o o o 3 34 o o o 4 6 o o o 5 42 o o + 5 39 o o o 5 28 + o o 7 32 o o o 7 45 o + o 7 36 o o + 8 43 - o o 8 20 o o o 8 21 o o o 9 44 o o - 9 21 o o o 10 37 o - o 10 21 o o o 11 22 - o o 11 21 o o o 12 29 o - o 12 20 o o o 12 21 o o o 13 38 o o - 13 20 o o o 13 21 o o o 14 22 - o o 14 21 o o o 15 44 o o - 15 21 o o o 16 37 o - o 16 21 o o o 17 38 o o - 17 20 o o o 17 21 o o o 18 43 - o o 18 20 o o o 18 21 o o o 19 29 o - o 19 20 o o o 19 21 o o o 20 43 - o o 20 29 o - o 20 38 o o - 21 38 o o - 21 29 o - o 21 43 - o o 21 41 o o o 21 26 o o o 21 22 - o o 21 35 o o o 21 33 o o o 21 37 o - o 21 40 o o o 21 31 o o o 21 44 o o - 26 40 o o o 31 35 o o o 33 41 o o o 