data_[Rb4Sr4Hg4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0245]
_cell_length_b [13.3172]
_cell_length_c [10.9767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbSrHgBr5]
_chemical_formula_sum '[Rb4 Sr4 Hg4 Br20]'
_cell_volume [1340.6089]
_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  0.3446  0.7500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0000  0.3173  0.2500  1.0
  Br  Br3  8  0.1217  0.2117  0.1141  1.0
  Br  Br4  8  0.1779  0.4421  0.4423  1.0
  Br  Br5  4  0.0000  0.0884  0.7500  1.0
]