data_Sm2Ni12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38
_cell_length_b   9.38
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Ni12As7
_chemical_formula_sum   'Sm2 Ni12 As7'
_cell_volume   294.82
_cell_formula_units_Z   1
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
  Sm  Sm19  1  1.0  0.42  0.0  1.0
  Sm  Sm20  1  0.69  0.71  0.93  1.0
  Ni  Ni7  1  0.83  0.46  0.0  1.0
  Ni  Ni8  1  0.09  0.27  0.0  1.0
  Ni  Ni9  1  0.07  0.09  0.0  1.0
  Ni  Ni10  1  0.17  0.57  0.0  1.0
  Ni  Ni11  1  0.23  0.91  0.0  1.0
  Ni  Ni12  1  0.68  0.07  0.0  1.0
  Ni  Ni13  1  0.51  0.78  0.93  1.0
  Ni  Ni14  1  0.95  0.92  0.93  1.0
  Ni  Ni15  1  0.54  0.45  0.93  1.0
  Ni  Ni16  1  0.53  0.07  0.93  1.0
  Ni  Ni17  1  0.61  0.43  0.93  1.0
  Ni  Ni18  1  0.93  0.73  0.93  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.15  0.92  0.0  1.0
  As  As2  1  0.42  0.34  0.0  1.0
  As  As3  1  0.51  0.86  0.0  1.0
  As  As4  1  0.1  0.28  0.93  1.0
  As  As5  1  0.3  0.7  0.93  1.0
  As  As6  1  0.6  0.27  0.93  1.0

data_Sm2Ni12As7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   9.38
_cell_length_c   9.38
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Ni12As7
_chemical_formula_sum   'Sm2 Ni12 As7'
_cell_volume   294.82
_cell_formula_units_Z   1
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
  Sm  Sm0  1  0.0  1.0  0.42  1.0
  Sm  Sm1  1  0.93  0.69  0.71  1.0
  Ni  Ni2  1  0.0  0.68  0.07  1.0
  Ni  Ni3  1  0.0  0.17  0.57  1.0
  Ni  Ni4  1  0.0  0.07  0.09  1.0
  Ni  Ni5  1  0.0  0.09  0.27  1.0
  Ni  Ni6  1  0.0  0.23  0.91  1.0
  Ni  Ni7  1  0.0  0.83  0.46  1.0
  Ni  Ni8  1  0.93  0.51  0.78  1.0
  Ni  Ni9  1  0.93  0.53  0.07  1.0
  Ni  Ni10  1  0.93  0.54  0.45  1.0
  Ni  Ni11  1  0.93  0.61  0.43  1.0
  Ni  Ni12  1  0.93  0.93  0.73  1.0
  Ni  Ni13  1  0.93  0.95  0.92  1.0
  As  As14  1  0.0  0.0  0.0  1.0
  As  As15  1  0.0  0.42  0.34  1.0
  As  As16  1  0.0  0.51  0.86  1.0
  As  As17  1  0.0  0.15  0.92  1.0
  As  As18  1  0.93  0.1  0.28  1.0
  As  As19  1  0.93  0.3  0.7  1.0
  As  As20  1  0.93  0.6  0.27  1.0

Sm Sm Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni As As As As As As As
Sm Sm Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni As As As As As As As 0 2 o o o 0 18 + o - 0 5 + o o 1 10 o o o 1 8 o o o 1 12 o o o 1 13 o o o 1 9 o o o 2 20 o o - 2 12 o o - 3 18 o o - 4 14 o o o 5 19 o o - 6 15 o o o 7 11 o o - 8 17 o o + 9 14 + + + 9 13 o o o 10 12 o o o 10 16 o o + 11 20 o o o 12 20 o o o 13 15 + o + 