data_[Na2Pr1Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [3.9400]
_cell_length_b [5.4713]
_cell_length_c [8.2073]
_cell_angle_alpha [84.7091]
_cell_angle_beta [89.6520]
_cell_angle_gamma [85.8844]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2PrCuF8]
_chemical_formula_sum '[Na2 Pr1 Cu1 F8]'
_cell_volume [175.7142]
_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
[
  Na  Na0  2  0.4893  0.4821  0.7649  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  0.0301  0.3232  0.2992  1.0
  F  F4  2  0.0625  0.1473  0.7992  1.0
  F  F5  2  0.3524  0.7774  0.9790  1.0
  F  F6  2  0.4912  0.2205  0.5613  1.0
]