data_NbSi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   141.27
_cell_angle_beta   123.72
_cell_angle_gamma   70.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Bi
_chemical_formula_sum   'Nb1 Si2 Bi1'
_cell_volume   74.26
_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  0.0  0.0  0.65  1.0
  Si  Si2  1  0.74  0.0  0.21  1.0
  Si  Si3  1  0.0  0.0  0.88  1.0
  Bi  Bi0  1  0.74  0.0  0.16  1.0

data_NbSi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.96
_cell_length_c   5.26
_cell_angle_alpha   118.14
_cell_angle_beta   109.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Bi
_chemical_formula_sum   'Nb1 Si2 Bi1'
_cell_volume   74.26
_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  0.35  0.35  0.35  1.0
  Si  Si1  1  0.12  0.12  0.12  1.0
  Si  Si2  1  0.53  0.79  0.53  1.0
  Bi  Bi3  1  0.59  0.84  0.59  1.0

Nb Si Si Bi
Nb Si Si Bi 0 2 o o o 1 3 o o o 