data_CrNiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   139.1
_cell_angle_beta   134.55
_cell_angle_gamma   62.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiBi
_chemical_formula_sum   'Cr1 Ni1 Bi1'
_cell_volume   53.77
_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  Cr1  1  0.0  0.0  0.63  1.0
  Ni  Ni2  1  0.0  0.0  0.7  1.0
  Bi  Bi0  1  0.0  0.0  0.01  1.0

data_CrNiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.78
_cell_length_c   4.89
_cell_angle_alpha   112.73
_cell_angle_beta   110.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiBi
_chemical_formula_sum   'Cr1 Ni1 Bi1'
_cell_volume   53.77
_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  0.37  0.37  0.37  1.0
  Ni  Ni1  1  0.3  0.3  0.3  1.0
  Bi  Bi2  1  0.99  0.99  0.99  1.0

Cr Ni Bi