data_[Rb8Cu4Hg4Br20]
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 [Cmc2_1]
_cell_length_a [4.4493]
_cell_length_b [19.9052]
_cell_length_c [14.3460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2CuHgBr5]
_chemical_formula_sum '[Rb8 Cu4 Hg4 Br20]'
_cell_volume [1270.5401]
_cell_formula_units_Z [4]
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  4  0.0000  0.1223  0.7071  1
  Rb  Rb1  4  0.0000  0.1277  0.3267  1
  Cu  Cu2  4  0.0000  0.4275  0.4138  1
  Hg  Hg3  4  0.0000  0.2094  0.0304  1
  Br  Br4  4  0.0000  0.0727  0.0026  1
  Br  Br5  4  0.0000  0.2964  0.6638  1
  Br  Br6  4  0.0000  0.3035  0.3794  1
  Br  Br7  4  0.0000  0.3444  0.0181  1
  Br  Br8  4  0.0000  0.4998  0.7820  1
]