data_[Rb1Mn1Hg2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4499]
_cell_length_b [7.5491]
_cell_length_c [10.0114]
_cell_angle_alpha [79.4797]
_cell_angle_beta [71.7714]
_cell_angle_gamma [76.4030]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbMn(HgI4)2]
_chemical_formula_sum '[Rb1 Mn1 Hg2 I8]'
_cell_volume [516.1570]
_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  0.5000  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0136  0.5527  0.6914  1.0
  I  I3  2  0.0541  0.0760  0.2758  1.0
  I  I4  2  0.2112  0.2647  0.8454  1.0
  I  I5  2  0.2982  0.5088  0.3974  1.0
  I  I6  2  0.3248  0.7683  0.9596  1.0
]