data_[Na2La1Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [3.9645]
_cell_length_b [5.4272]
_cell_length_c [8.4264]
_cell_angle_alpha [84.8174]
_cell_angle_beta [89.5746]
_cell_angle_gamma [85.4269]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2LaCuF8]
_chemical_formula_sum '[Na2 La1 Cu1 F8]'
_cell_volume [179.9875]
_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  0.4903  0.4798  0.7698  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  0.0307  0.3229  0.3032  1.0
  F  F4  2  0.0631  0.1532  0.8079  1.0
  F  F5  2  0.3481  0.7756  0.9762  1.0
  F  F6  2  0.4913  0.2193  0.5675  1.0
]