data_[La4Cu4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [9.1712]
_cell_length_b [7.0746]
_cell_length_c [7.8332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaCuF5]
_chemical_formula_sum '[La4 Cu4 F20]'
_cell_volume [463.3701]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.0000  0.4411  0.2500  1.0
  Cu  Cu1  4  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0169  0.3152  0.9689  1.0
  F  F3  8  0.2243  0.0316  0.6158  1.0
  F  F4  4  0.0000  0.0926  0.2500  1.0
]