data_NbCo2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.21
_cell_angle_alpha   101.8
_cell_angle_beta   101.8
_cell_angle_gamma   43.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Bi
_chemical_formula_sum   'Nb1 Co2 Bi1'
_cell_volume   66.94
_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
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.71  0.0  0.92  1.0
  Co  Co2  1  0.23  0.0  0.16  1.0
  Bi  Bi0  1  0.47  0.0  0.54  1.0

data_NbCo2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.36
_cell_length_c   5.21
_cell_angle_alpha   101.8
_cell_angle_beta   90.0
_cell_angle_gamma   111.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Bi
_chemical_formula_sum   'Nb1 Co2 Bi1'
_cell_volume   66.94
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.29  0.08  1.0
  Co  Co2  1  0.0  0.77  0.84  1.0
  Bi  Bi3  1  0.0  0.53  0.46  1.0

Nb Co Co Bi