data_K3Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Be
_chemical_formula_sum   'K12 Be4'
_cell_volume   741.04
_cell_formula_units_Z   4
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
  K  K4  1  0.93  0.58  0.26  1.0
  K  K5  1  0.93  0.58  0.0  1.0
  K  K6  1  0.07  0.58  0.26  1.0
  K  K7  1  0.13  0.0  0.26  1.0
  K  K8  1  0.13  0.0  0.0  1.0
  K  K9  1  0.07  0.58  0.0  1.0
  K  K10  1  0.25  0.07  0.39  1.0
  K  K11  1  0.88  0.08  0.13  1.0
  K  K12  1  0.75  0.07  0.39  1.0
  K  K13  1  0.0  0.17  0.39  1.0
  K  K14  1  0.13  0.99  0.13  1.0
  K  K15  1  0.39  0.08  0.13  1.0
  Be  Be0  1  0.0  0.0  0.26  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.13  0.39  0.39  1.0
  Be  Be3  1  0.0  0.77  0.13  1.0

data_K3Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Be
_chemical_formula_sum   'K12 Be4'
_cell_volume   741.04
_cell_formula_units_Z   4
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
  K  K0  1  0.0  0.17  0.39  1.0
  K  K1  1  0.07  0.58  0.0  1.0
  K  K2  1  0.07  0.58  0.26  1.0
  K  K3  1  0.13  0.0  0.0  1.0
  K  K4  1  0.13  0.0  0.26  1.0
  K  K5  1  0.13  0.99  0.13  1.0
  K  K6  1  0.25  0.07  0.39  1.0
  K  K7  1  0.39  0.08  0.13  1.0
  K  K8  1  0.75  0.07  0.39  1.0
  K  K9  1  0.88  0.08  0.13  1.0
  K  K10  1  0.93  0.58  0.0  1.0
  K  K11  1  0.93  0.58  0.26  1.0
  Be  Be12  1  0.0  0.0  0.0  1.0
  Be  Be13  1  0.0  0.0  0.26  1.0
  Be  Be14  1  0.0  0.77  0.13  1.0
  Be  Be15  1  0.13  0.39  0.39  1.0

K K K K K K K K K K K K Be Be Be Be
K K K K K K K K K K K K Be Be Be Be 0 2 + o o 1 5 + o o 3 12 o o o 3 6 o o o 3 10 o - o 4 13 o o o 4 10 o - o 7 13 + o o 7 12 + o o 7 10 + - o 8 9 + o o 9 14 o o o 10 15 o o o 10 11 o + o 