data_[Rb1Mn1Hg1Br6]
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 [P1]
_cell_length_a [6.9987]
_cell_length_b [7.0802]
_cell_length_c [7.5504]
_cell_angle_alpha [93.2075]
_cell_angle_beta [97.0635]
_cell_angle_gamma [110.4261]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbMnHgBr6]
_chemical_formula_sum '[Rb1 Mn1 Hg1 Br6]'
_cell_volume [345.9818]
_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  0.0442  0.9751  0.9890  1.0
  Mn  Mn1  1  0.2886  0.6296  0.5321  1.0
  Hg  Hg2  1  0.6757  0.3023  0.4822  1.0
  Br  Br3  1  0.0115  0.7122  0.3752  1.0
  Br  Br4  1  0.0419  0.3797  0.7213  1.0
  Br  Br5  1  0.3144  0.4369  0.2682  1.0
  Br  Br6  1  0.4229  0.9537  0.7195  1.0
  Br  Br7  1  0.5867  0.5593  0.7019  1.0
  Br  Br8  1  0.6138  0.0510  0.2108  1.0
]