data_ZnSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   131.4
_cell_angle_beta   131.4
_cell_angle_gamma   71.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Bi
_chemical_formula_sum   'Zn1 Sn2 Bi1'
_cell_volume   106.7
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.38  0.35  1.0
  Sn  Sn2  1  0.38  0.0  0.35  1.0
  Bi  Bi0  1  0.0  0.0  0.71  1.0

data_ZnSn2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   125.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSn2Bi
_chemical_formula_sum   'Zn2 Sn4 Bi2'
_cell_volume   213.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  4  0.34  0.31  0.03  1.0
  Bi  Bi2  2  0.29  0.0  0.29  1.0

Zn Sn Sn Bi