data_[La4Pr2Ir4]
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 [5.9316]
_cell_length_b [4.4898]
_cell_length_c [10.8605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2PrIr2]
_chemical_formula_sum '[La4 Pr2 Ir4]'
_cell_volume [285.8131]
_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  0.1120  0.2500  0.8840  1.0
  La  La1  2  0.2323  0.7500  0.4667  1.0
  Pr  Pr2  2  0.4575  0.2500  0.2070  1.0
  Ir  Ir3  2  0.3072  0.2500  0.6344  1.0
  Ir  Ir4  2  0.3360  0.7500  0.0295  1.0
]