data_NbBi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   41.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBi2As
_chemical_formula_sum   'Nb1 Bi2 As1'
_cell_volume   97.52
_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  0.36  0.0  0.08  1.0
  Bi  Bi1  1  0.36  0.0  0.52  1.0
  Bi  Bi2  1  0.0  0.0  0.2  1.0
  As  As0  1  0.0  0.0  0.26  1.0

data_NbBi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.72
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   110.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBi2As
_chemical_formula_sum   'Nb1 Bi2 As1'
_cell_volume   97.52
_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  0.92  0.36  0.92  1.0
  Bi  Bi1  1  0.48  0.36  0.48  1.0
  Bi  Bi2  1  0.8  0.0  0.8  1.0
  As  As3  1  0.74  0.0  0.74  1.0

Nb Bi Bi As