data_TaIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.51
_cell_angle_alpha   101.55
_cell_angle_beta   101.55
_cell_angle_gamma   30.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Bi
_chemical_formula_sum   'Ta1 In2 Bi1'
_cell_volume   96.37
_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  0.14  0.0  0.62  1.0
  In  In1  1  0.04  0.0  0.04  1.0
  In  In2  1  0.49  0.0  0.45  1.0
  Bi  Bi0  1  0.71  0.0  0.97  1.0

data_TaIn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.51
_cell_length_c   5.91
_cell_angle_alpha   101.55
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Bi
_chemical_formula_sum   'Ta1 In2 Bi1'
_cell_volume   96.37
_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  Ta0  1  0.0  0.62  0.14  1.0
  In  In1  1  0.0  0.04  0.04  1.0
  In  In2  1  0.0  0.45  0.49  1.0
  Bi  Bi3  1  0.0  0.97  0.71  1.0

Ta In In Bi