data_[Li4Pr8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2462]
_cell_length_b [5.5787]
_cell_length_c [8.1764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li(PrIr)2]
_chemical_formula_sum '[Li4 Pr8 Ir8]'
_cell_volume [446.6179]
_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
[
  Li  Li0  4  0.0000  0.1258  0.7500  1.0
  Pr  Pr1  8  0.1459  0.3435  0.1480  1.0
  Ir  Ir2  8  0.1357  0.1486  0.5124  1.0
]