data_[Cu8As4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0881]
_cell_length_b [13.0102]
_cell_length_c [4.3366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2AsF6]
_chemical_formula_sum '[Cu8 As4 F24]'
_cell_volume [520.5496]
_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
[
  Cu  Cu0  8  0.1187  0.3967  0.6106  1.0
  As  As1  4  0.0000  0.1140  0.7500  1.0
  F  F2  8  0.0900  0.2097  0.6160  1.0
  F  F3  8  0.0948  0.4064  0.0903  1.0
  F  F4  8  0.1717  0.1057  0.1956  1.0
]