data_[K2La1Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  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 [4.1416]
_cell_length_b [6.2128]
_cell_length_c [8.2664]
_cell_angle_alpha [79.9469]
_cell_angle_beta [86.5554]
_cell_angle_gamma [85.5320]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2LaCuF8]
_chemical_formula_sum '[K2 La1 Cu1 F8]'
_cell_volume [208.5656]
_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  0.4837  0.4722  0.7581  1.0
  La  La1  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0310  0.1478  0.7930  1.0
  F  F4  2  0.0399  0.2867  0.2877  1.0
  F  F5  2  0.3423  0.8189  0.9628  1.0
  F  F6  2  0.4940  0.2025  0.5401  1.0
]