data_[La2Cr4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1164]
_cell_length_b [7.5379]
_cell_length_c [4.3731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCr2F8]
_chemical_formula_sum '[La2 Cr4 F16]'
_cell_volume [332.8566]
_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  2  0.0000  0.0000  0.0000  1
  Cr  Cr1  4  0.1156  0.5000  0.2649  1
  F  F2  8  0.1059  0.2397  0.2545  1
  F  F3  4  0.0867  0.5000  0.7590  1
  F  F4  4  0.1909  0.0000  0.7276  1
]