data_CrCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   121.69
_cell_angle_beta   121.69
_cell_angle_gamma   87.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoBi2
_chemical_formula_sum   'Cr1 Co1 Bi2'
_cell_volume   83.99
_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  0.0  1.0
  Co  Co2  1  0.0  0.0  0.6  1.0
  Bi  Bi0  1  0.42  0.0  0.8  1.0
  Bi  Bi1  1  0.0  0.42  0.8  1.0

data_CrCoBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   133.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCoBi2
_chemical_formula_sum   'Cr2 Co2 Bi4'
_cell_volume   167.99
_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
  Co  Co1  2  0.0  0.0  0.6  1.0
  Bi  Bi2  4  0.29  0.29  0.38  1.0

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