data_[Li2Pr1Cu1F8]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0003]
_cell_length_b [5.2618]
_cell_length_c [7.7659]
_cell_angle_alpha [95.0689]
_cell_angle_beta [98.5370]
_cell_angle_gamma [90.6156]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2PrCuF8]
_chemical_formula_sum '[Li2 Pr1 Cu1 F8]'
_cell_volume [160.9701]
_cell_formula_units_Z [1]
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  0.4266  0.4306  0.3076  1.0
  Pr  Pr1  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0101  0.1722  0.8115  1.0
  F  F4  2  0.0697  0.6548  0.6741  1.0
  F  F5  2  0.3682  0.1768  0.1069  1.0
  F  F6  2  0.4922  0.7528  0.4487  1.0
]