data_[Li4Pr20Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8324]
_cell_length_b [12.5727]
_cell_length_c [14.7038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiPr5Sb2]
_chemical_formula_sum '[Li4 Pr20 Sb8]'
_cell_volume [1078.2108]
_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  0.3014  0.2500  1
  Pr  Pr1  8  0.0000  0.0651  0.1057  1
  Pr  Pr2  8  0.0000  0.3728  0.0468  1
  Pr  Pr3  4  0.0000  0.3823  0.7500  1
  Sb  Sb4  8  0.0000  0.1920  0.6090  1
]