data_Ta2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   28.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SbIr
_chemical_formula_sum   'Ta2 Sb1 Ir1'
_cell_volume   72.14
_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  0.12  0.0  0.71  1.0
  Ta  Ta3  1  0.0  0.0  0.63  1.0
  Sb  Sb1  1  0.0  0.0  0.67  1.0
  Ir  Ir0  1  0.12  0.0  0.02  1.0

data_Ta2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.25
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   104.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SbIr
_chemical_formula_sum   'Ta2 Sb1 Ir1'
_cell_volume   72.14
_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  0.29  0.12  0.29  1.0
  Ta  Ta1  1  0.37  0.0  0.37  1.0
  Sb  Sb2  1  0.33  0.0  0.33  1.0
  Ir  Ir3  1  0.98  0.12  0.98  1.0

Ta Ta Sb Ir