data_[La8Cl6F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6985]
_cell_length_b [3.9036]
_cell_length_c [9.6921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Cl3F7]
_chemical_formula_sum '[La8 Cl6 F14]'
_cell_volume [521.1073]
_cell_formula_units_Z [2]
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  0.0802  0.0000  0.2860  1
  La  La1  4  0.1758  0.5000  0.7680  1
  Cl  Cl2  4  0.1902  0.5000  0.2275  1
  Cl  Cl3  2  0.0000  0.0000  0.5000  1
  F  F4  4  0.0303  0.5000  0.7831  1
  F  F5  4  0.1499  0.5000  0.4933  1
  F  F6  4  0.1822  0.0000  0.9327  1
  F  F7  2  0.0000  0.0000  0.0000  1
]