data_[Li2Pr4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6752]
_cell_length_b [7.0134]
_cell_length_c [11.2047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiPr2Cl6]
_chemical_formula_sum '[Li2 Pr4 Cl12]'
_cell_volume [465.0223]
_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
[
  Li  Li0  2  0.5000  0.0000  0.5000  1.0
  Pr  Pr1  4  0.1671  0.1195  0.7249  1.0
  Cl  Cl2  4  0.1315  0.1780  0.4449  1.0
  Cl  Cl3  4  0.2452  0.6780  0.4127  1.0
  Cl  Cl4  4  0.4447  0.0564  0.2720  1.0
]