data_ZnCr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   137.45
_cell_angle_beta   137.45
_cell_angle_gamma   61.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Bi
_chemical_formula_sum   'Zn1 Cr2 Bi1'
_cell_volume   74.93
_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  0.71  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.99  0.0  0.36  1.0
  Bi  Bi0  1  0.0  0.99  0.36  1.0

data_ZnCr2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   120.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCr2Bi
_chemical_formula_sum   'Zn2 Cr4 Bi2'
_cell_volume   149.85
_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  0.29  0.0  0.29  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Cr  Cr2  2  0.14  0.5  0.64  1.0
  Bi  Bi3  2  0.14  0.5  0.64  1.0

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