data_ZnCr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.36
_cell_angle_alpha   99.54
_cell_angle_beta   99.54
_cell_angle_gamma   39.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Bi
_chemical_formula_sum   'Zn1 Cr2 Bi1'
_cell_volume   75.71
_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  0.1  0.0  0.97  1.0
  Cr  Cr1  1  0.92  0.0  0.96  1.0
  Cr  Cr2  1  0.61  0.0  1.0  1.0
  Bi  Bi0  1  0.44  0.0  0.26  1.0

data_ZnCr2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.76
_cell_length_c   5.36
_cell_angle_alpha   99.54
_cell_angle_beta   90.0
_cell_angle_gamma   109.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Bi
_chemical_formula_sum   'Zn1 Cr2 Bi1'
_cell_volume   75.71
_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  Zn0  1  0.0  0.9  0.03  1.0
  Cr  Cr1  1  0.0  0.08  0.04  1.0
  Cr  Cr2  1  0.0  0.39  0.0  1.0
  Bi  Bi3  1  0.0  0.56  0.74  1.0

Zn Cr Cr Bi
Zn Cr Cr Bi 0 1 - o o 1 2 o o o 2 3 o o + 