data_[La10Ir2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0381]
_cell_length_b [5.9365]
_cell_length_c [8.5621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5IrCl5]
_chemical_formula_sum '[La10 Ir2 Cl10]'
_cell_volume [624.7908]
_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  4  0.1539  0.0000  0.3067  1
  La  La1  4  0.1716  0.0000  0.8516  1
  La  La2  2  0.0000  0.5000  0.0000  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  4  0.1532  0.5000  0.8029  1
  Cl  Cl5  4  0.1653  0.5000  0.3539  1
  Cl  Cl6  2  0.0000  0.0000  0.5000  1
]