data_Nb2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   4.89
_cell_angle_alpha   103.21
_cell_angle_beta   103.21
_cell_angle_gamma   39.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BiAs
_chemical_formula_sum   'Nb2 Bi1 As1'
_cell_volume   80.15
_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  0.51  0.0  0.59  1.0
  Nb  Nb3  1  0.13  0.0  0.52  1.0
  Bi  Bi1  1  0.48  0.0  0.82  1.0
  As  As0  1  0.3  0.0  0.93  1.0

data_Nb2BiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.89
_cell_length_c   5.17
_cell_angle_alpha   103.21
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BiAs
_chemical_formula_sum   'Nb2 Bi1 As1'
_cell_volume   80.15
_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  0.52  0.13  1.0
  Nb  Nb1  1  0.0  0.59  0.51  1.0
  Bi  Bi2  1  0.0  0.82  0.48  1.0
  As  As3  1  0.0  0.93  0.3  1.0

Nb Nb Bi As