data_Nb2CoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   140.45
_cell_angle_beta   132.56
_cell_angle_gamma   63.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoBi
_chemical_formula_sum   'Nb2 Co1 Bi1'
_cell_volume   70.38
_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  Nb2  1  0.81  0.0  0.18  1.0
  Nb  Nb3  1  0.0  0.15  0.36  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.54  1.0

data_Nb2CoBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.29
_cell_length_c   5.34
_cell_angle_alpha   113.72
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoBi
_chemical_formula_sum   'Nb2 Co1 Bi1'
_cell_volume   70.38
_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  0.18  0.38  1.0
  Nb  Nb1  1  0.85  0.21  0.21  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.54  0.54  1.0

Nb Nb Co Bi