data_[Rb1Cu1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P-1]
_cell_length_a [5.3841]
_cell_length_b [5.6553]
_cell_length_c [7.6018]
_cell_angle_alpha [83.1040]
_cell_angle_beta [87.5580]
_cell_angle_gamma [86.4180]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbCuHg2F8]
_chemical_formula_sum '[Rb1 Cu1 Hg2 F8]'
_cell_volume [229.1985]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4799  0.4925  0.7670  1.0
  F  F3  2  0.1212  0.7950  0.1814  1.0
  F  F4  2  0.1364  0.8136  0.8413  1.0
  F  F5  2  0.3543  0.2772  0.9836  1.0
  F  F6  2  0.4227  0.2832  0.4546  1.0
]