data_[Rb2Cu2Hg2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0609]
_cell_length_b [7.7826]
_cell_length_c [9.1972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCuHgBr4]
_chemical_formula_sum '[Rb2 Cu2 Hg2 Br8]'
_cell_volume [486.9722]
_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
[
  Rb  Rb0  2  0.2433  0.2500  0.0852  1.0
  Cu  Cu1  2  0.1918  0.7500  0.2863  1.0
  Hg  Hg2  2  0.2822  0.2500  0.6418  1.0
  Br  Br3  4  0.0435  0.0135  0.7230  1.0
  Br  Br4  2  0.3773  0.7500  0.0990  1.0
  Br  Br5  2  0.4735  0.7500  0.5251  1.0
]