data_CrFeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeBi2
_chemical_formula_sum   'Cr1 Fe1 Bi2'
_cell_volume   86.34
_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
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.0  0.7  1.0
  Bi  Bi0  1  0.71  0.71  0.42  1.0
  Bi  Bi1  1  0.71  0.71  0.98  1.0

data_CrFeBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrFeBi2
_chemical_formula_sum   'Cr2 Fe2 Bi4'
_cell_volume   172.69
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.7  1.0
  Bi  Bi2  2  0.21  0.5  0.42  1.0
  Bi  Bi3  2  0.21  0.5  0.98  1.0

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