data_NbSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.53
_cell_angle_alpha   101.43
_cell_angle_beta   101.43
_cell_angle_gamma   32.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Bi
_chemical_formula_sum   'Nb1 Sn2 Bi1'
_cell_volume   99.23
_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  0.92  0.0  0.16  1.0
  Sn  Sn2  1  0.96  0.0  0.27  1.0
  Sn  Sn3  1  0.18  0.0  0.34  1.0
  Bi  Bi0  1  0.35  0.0  0.76  1.0

data_NbSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.53
_cell_length_c   5.88
_cell_angle_alpha   101.43
_cell_angle_beta   106.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Bi
_chemical_formula_sum   'Nb1 Sn2 Bi1'
_cell_volume   99.23
_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  0.16  0.92  1.0
  Sn  Sn1  1  0.0  0.27  0.96  1.0
  Sn  Sn2  1  0.0  0.34  0.18  1.0
  Bi  Bi3  1  0.0  0.76  0.35  1.0

Nb Sn Sn Bi