data_[La4Cu1Ir1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2455]
_cell_length_b [4.2431]
_cell_length_c [7.9213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4CuIrCl2]
_chemical_formula_sum '[La4 Cu1 Ir1 Cl2]'
_cell_volume [231.8226]
_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
[
  La  La0  2  0.2324  0.5000  0.2092  1
  La  La1  2  0.2498  0.0000  0.7876  1
  Cu  Cu2  1  0.5000  0.5000  0.0000  1
  Ir  Ir3  1  0.0000  0.0000  0.0000  1
  Cl  Cl4  1  0.0000  0.5000  0.5000  1
  Cl  Cl5  1  0.5000  0.0000  0.5000  1
]