data_[Rb2Mn1Hg1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4713]
_cell_length_b [7.7658]
_cell_length_c [7.9113]
_cell_angle_alpha [94.6951]
_cell_angle_beta [116.6057]
_cell_angle_gamma [117.1208]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2MnHgBr6]
_chemical_formula_sum '[Rb2 Mn1 Hg1 Br6]'
_cell_volume [340.8821]
_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  2  0.0144  0.7633  0.7682  1.0
  Mn  Mn1  1  0.5000  0.5000  0.0000  1.0
  Hg  Hg2  1  0.5000  0.0000  0.5000  1.0
  Br  Br3  2  0.0384  0.3261  0.8158  1.0
  Br  Br4  2  0.3791  0.1947  0.6675  1.0
  Br  Br5  2  0.4800  0.2449  0.2050  1.0
]