data_[Li4Pr4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7732]
_cell_length_b [4.7880]
_cell_length_c [9.1825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiPrF3]
_chemical_formula_sum '[Li4 Pr4 F12]'
_cell_volume [282.6277]
_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  0.1076  0.2380  0.5115  1
  Pr  Pr1  4  0.3126  0.7367  0.3349  1
  F  F2  4  0.0178  0.0423  0.6678  1
  F  F3  4  0.1884  0.6180  0.5694  1
  F  F4  4  0.3671  0.2438  0.4446  1
]