data_Ta2Nb2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   150.2
_cell_angle_beta   150.2
_cell_angle_gamma   42.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Nb2Bi
_chemical_formula_sum   'Ta2 Nb2 Bi1'
_cell_volume   108.32
_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
  Ta  Ta3  1  0.0  0.0  0.56  1.0
  Ta  Ta4  1  0.0  0.0  0.61  1.0
  Nb  Nb1  1  0.0  0.96  0.54  1.0
  Nb  Nb2  1  0.96  0.0  0.54  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0

data_Ta2Nb2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   111.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2Nb2Bi
_chemical_formula_sum   'Ta4 Nb4 Bi2'
_cell_volume   216.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.0  0.0  0.39  1.0
  Ta  Ta1  2  0.0  0.0  0.44  1.0
  Nb  Nb2  4  0.48  0.48  0.41  1.0
  Bi  Bi3  2  0.0  0.0  0.0  1.0

Ta Ta Nb Nb Bi