data_[K2Pr1Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [4.0967]
_cell_length_b [6.2501]
_cell_length_c [8.1233]
_cell_angle_alpha [79.9134]
_cell_angle_beta [86.6109]
_cell_angle_gamma [86.0064]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2PrCuF8]
_chemical_formula_sum '[K2 Pr1 Cu1 F8]'
_cell_volume [204.0496]
_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
[
  K  K0  2  0.4787  0.4714  0.7581  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  0.0236  0.1434  0.7879  1.0
  F  F4  2  0.0424  0.2891  0.2856  1.0
  F  F5  2  0.3448  0.8223  0.9615  1.0
  F  F6  2  0.4929  0.1981  0.5399  1.0
]