data_[Cu2Hg6F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.3629]
_cell_length_b [6.9232]
_cell_length_c [3.6802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CuHg3F4]
_chemical_formula_sum '[Cu2 Hg6 F8]'
_cell_volume [289.5179]
_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
[
  Cu  Cu0  2  0.0000  0.1231  0.9443  1.0
  Hg  Hg1  4  0.2310  0.6987  0.9757  1.0
  Hg  Hg2  2  0.0000  0.6476  0.8349  1.0
  F  F3  4  0.1684  0.1277  0.9446  1.0
  F  F4  2  0.0000  0.3169  0.5574  1.0
  F  F5  2  0.0000  0.9384  0.3381  1.0
]