data_NbCrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   39.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrBi2
_chemical_formula_sum   'Nb1 Cr1 Bi2'
_cell_volume   90.58
_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  0.23  0.0  0.75  1.0
  Cr  Cr2  1  0.0  0.0  0.24  1.0
  Bi  Bi0  1  0.0  0.0  0.25  1.0
  Bi  Bi1  1  0.23  0.0  0.83  1.0

data_NbCrBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.46
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrBi2
_chemical_formula_sum   'Nb1 Cr1 Bi2'
_cell_volume   90.58
_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  0.25  0.23  0.25  1.0
  Cr  Cr1  1  0.76  0.0  0.76  1.0
  Bi  Bi2  1  0.17  0.23  0.17  1.0
  Bi  Bi3  1  0.75  0.0  0.75  1.0

Nb Cr Bi Bi