data_CrCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoBi2
_chemical_formula_sum   'Cr1 Co1 Bi2'
_cell_volume   87.78
_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  Cr3  1  0.0  0.0  0.58  1.0
  Co  Co2  1  0.23  0.0  0.68  1.0
  Bi  Bi0  1  0.23  0.0  0.77  1.0
  Bi  Bi1  1  0.0  0.0  0.41  1.0

data_CrCoBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoBi2
_chemical_formula_sum   'Cr1 Co1 Bi2'
_cell_volume   87.78
_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  Cr0  1  0.0  0.0  0.58  1.0
  Co  Co1  1  0.23  0.0  0.68  1.0
  Bi  Bi2  1  0.0  0.0  0.41  1.0
  Bi  Bi3  1  0.23  0.0  0.77  1.0

Cr Co Bi Bi
Cr Co Bi Bi 0 1 o o o 0 3 o o o 1 2 o o o 