data_[La2Sb6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.6699]
_cell_length_b [6.1597]
_cell_length_c [6.4494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LaSb3Ir]
_chemical_formula_sum '[La2 Sb6 Ir2]'
_cell_volume [264.9692]
_cell_formula_units_Z [2]
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
[
  La  La0  2  0.0000  0.3745  0.5919  1
  Sb  Sb1  4  0.2468  0.1630  0.0290  1
  Sb  Sb2  2  0.0000  0.5885  0.1287  1
  Ir  Ir3  2  0.0000  0.8896  0.8432  1
]