data_[La2Pr4Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9121]
_cell_length_b [4.4474]
_cell_length_c [10.8694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(PrIr)2]
_chemical_formula_sum '[La2 Pr4 Ir4]'
_cell_volume [281.9753]
_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  2  0.4618  0.2500  0.2071  1.0
  Pr  Pr1  2  0.1078  0.2500  0.8845  1.0
  Pr  Pr2  2  0.2302  0.7500  0.4650  1.0
  Ir  Ir3  2  0.3070  0.2500  0.6375  1.0
  Ir  Ir4  2  0.3415  0.7500  0.0313  1.0
]