data_TaSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.74
_cell_angle_alpha   102.52
_cell_angle_beta   102.52
_cell_angle_gamma   37.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb2Ir
_chemical_formula_sum   'Ta1 Sb2 Ir1'
_cell_volume   77.95
_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  0.0  1.0
  Sb  Sb1  1  0.55  0.0  0.4  1.0
  Sb  Sb2  1  0.2  0.0  0.18  1.0
  Ir  Ir0  1  0.87  0.0  0.79  1.0

data_TaSb2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.79
_cell_length_c   5.74
_cell_angle_alpha   102.52
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb2Ir
_chemical_formula_sum   'Ta1 Sb2 Ir1'
_cell_volume   77.95
_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
  Sb  Sb1  1  0.0  0.45  0.6  1.0
  Sb  Sb2  1  0.0  0.8  0.82  1.0
  Ir  Ir3  1  0.0  0.13  0.21  1.0

Ta Sb Sb Ir
Ta Sb Sb Ir 0 3 - o - 0 2 o o o 1 2 o o o 