data_[Li2La1Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [4.0572]
_cell_length_b [4.8636]
_cell_length_c [7.8558]
_cell_angle_alpha [92.6187]
_cell_angle_beta [90.8510]
_cell_angle_gamma [92.3376]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2LaCuF8]
_chemical_formula_sum '[Li2 La1 Cu1 F8]'
_cell_volume [154.7038]
_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  0.4717  0.4773  0.7916  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  0.1213  0.6938  0.7123  1.0
  F  F4  2  0.1290  0.8238  0.1828  1.0
  F  F5  2  0.3384  0.2547  0.0204  1.0
  F  F6  2  0.4888  0.2473  0.5852  1.0
]