data_[La12Co2Ir4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  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 [7.1651]
_cell_length_b [12.4231]
_cell_length_c [7.9896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6CoIr2Cl3]
_chemical_formula_sum '[La12 Co2 Ir4 Cl6]'
_cell_volume [678.8987]
_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  8  0.2302  0.8371  0.2025  1.0
  La  La1  4  0.2416  0.5000  0.2023  1.0
  Co  Co2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0000  0.3331  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1637  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]