data_[La12Pr4In4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.1290]
_cell_length_b [7.7822]
_cell_length_c [15.6133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3PrInIr]
_chemical_formula_sum '[La12 Pr4 In4 Ir4]'
_cell_volume [744.7130]
_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  8  0.0000  0.2479  0.1220  1.0
  La  La1  4  0.0000  0.5000  0.3201  1.0
  Pr  Pr2  4  0.0000  0.1957  0.5000  1.0
  In  In3  4  0.0000  0.0000  0.3053  1.0
  Ir  Ir4  4  0.2381  0.0000  0.0000  1.0
]