data_[Cu1Hg2Ge1F6]
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
  Ge  2.0100  1.2500  0.7700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7371]
_cell_length_b [5.9430]
_cell_length_c [6.4026]
_cell_angle_alpha [116.6999]
_cell_angle_beta [111.6800]
_cell_angle_gamma [90.1563]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuHg2GeF6]
_chemical_formula_sum '[Cu1 Hg2 Ge1 F6]'
_cell_volume [177.4469]
_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
  Hg  Hg1  2  0.1889  0.1693  0.7599  1.0
  Ge  Ge2  1  0.5000  0.5000  0.5000  1.0
  F  F3  2  0.2579  0.5821  0.2851  1.0
  F  F4  2  0.3171  0.1469  0.2994  1.0
  F  F5  2  0.3252  0.5709  0.7015  1.0
]