data_Ta2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   134.89
_cell_angle_beta   134.89
_cell_angle_gamma   65.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BiIr
_chemical_formula_sum   'Ta2 Bi1 Ir1'
_cell_volume   74.74
_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  Ta2  1  0.0  0.04  0.24  1.0
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.04  0.0  0.24  1.0
  Ir  Ir1  1  0.0  0.0  0.48  1.0

data_Ta2BiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.33
_cell_angle_alpha   112.55
_cell_angle_beta   112.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BiIr
_chemical_formula_sum   'Ta2 Bi1 Ir1'
_cell_volume   74.74
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.19  0.24  0.19  1.0
  Bi  Bi2  1  0.24  0.19  0.19  1.0
  Ir  Ir3  1  0.48  0.48  0.48  1.0

Ta Ta Bi Ir