data_[Cu1Ni1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4516]
_cell_length_b [5.2706]
_cell_length_c [7.0889]
_cell_angle_alpha [84.9776]
_cell_angle_beta [88.8673]
_cell_angle_gamma [85.5898]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuNiHg2F8]
_chemical_formula_sum '[Cu1 Ni1 Hg2 F8]'
_cell_volume [165.1811]
_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
  Ni  Ni1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.4176  0.5165  0.7416  1.0
  F  F3  2  0.1041  0.2873  0.3009  1.0
  F  F4  2  0.1354  0.1432  0.7577  1.0
  F  F5  2  0.3342  0.7469  0.0082  1.0
  F  F6  2  0.3706  0.7757  0.4659  1.0
]