data_[Cu2Hg4H2F12]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3030]
_cell_length_b [4.8972]
_cell_length_c [11.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuHg2HF6]
_chemical_formula_sum '[Cu2 Hg4 H2 F12]'
_cell_volume [300.9177]
_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  0.5000  0.0000  0.0000  1.0
  Hg  Hg1  4  0.1962  0.5123  0.7009  1.0
  H  H2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0952  0.6998  0.9966  1.0
  F  F4  4  0.1962  0.1728  0.8505  1.0
  F  F5  4  0.4779  0.2018  0.1454  1.0
]