data_Nb2InAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   144.78
_cell_angle_beta   129.28
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InAs
_chemical_formula_sum   'Nb2 In1 As1'
_cell_volume   84.78
_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  0.0  0.47  0.46  1.0
  Nb  Nb3  1  0.75  0.0  0.46  1.0
  In  In1  1  0.0  0.0  0.91  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Nb2InAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.94
_cell_length_c   5.77
_cell_angle_alpha   115.36
_cell_angle_beta   107.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InAs
_chemical_formula_sum   'Nb2 In1 As1'
_cell_volume   84.78
_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  0.46  0.71  1.0
  Nb  Nb1  1  0.53  0.99  0.99  1.0
  In  In2  1  0.0  0.91  0.91  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Nb Nb In As