data_Nb2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.65
_cell_angle_alpha   102.07
_cell_angle_beta   102.07
_cell_angle_gamma   37.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnAs
_chemical_formula_sum   'Nb2 Sn1 As1'
_cell_volume   75.84
_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  Nb1  1  0.68  0.0  0.17  1.0
  Nb  Nb2  1  0.3  0.0  0.43  1.0
  Sn  Sn3  1  0.56  0.0  0.99  1.0
  As  As0  1  0.67  0.0  0.74  1.0

data_Nb2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.65
_cell_length_c   5.24
_cell_angle_alpha   102.07
_cell_angle_beta   108.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnAs
_chemical_formula_sum   'Nb2 Sn1 As1'
_cell_volume   75.84
_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  0.17  0.68  1.0
  Nb  Nb1  1  0.0  0.43  0.3  1.0
  Sn  Sn2  1  0.0  0.99  0.56  1.0
  As  As3  1  0.0  0.74  0.67  1.0

Nb Nb Sn As