data_[Cu1Sn1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1779]
_cell_length_b [5.2719]
_cell_length_c [5.4936]
_cell_angle_alpha [62.6370]
_cell_angle_beta [89.7782]
_cell_angle_gamma [62.2929]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuSnF6]
_chemical_formula_sum '[Cu1 Sn1 F6]'
_cell_volume [113.6340]
_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
[
  Cu  Cu0  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  1  0.5000  0.0000  0.5000  1.0
  F  F2  2  0.1293  0.1151  0.2475  1.0
  F  F3  2  0.2445  0.1247  0.7535  1.0
  F  F4  2  0.3938  0.4674  0.2657  1.0
]