data_[La12In4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6761]
_cell_length_b [5.8466]
_cell_length_c [9.2697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3InIr]
_chemical_formula_sum '[La12 In4 Ir4]'
_cell_volume [638.4759]
_cell_formula_units_Z [4]
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  0.1081  0.0000  0.2278  1.0
  La  La1  4  0.1265  0.5000  0.9083  1.0
  La  La2  4  0.1563  0.0000  0.6416  1.0
  In  In3  4  0.1020  0.5000  0.4531  1.0
  Ir  Ir4  4  0.1321  0.0000  0.9312  1.0
]