data_[Rb2Mn2Hg2I8]
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 [P2_1/m]
_cell_length_a [8.3237]
_cell_length_b [8.7810]
_cell_length_c [9.6390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbMnHgI4]
_chemical_formula_sum '[Rb2 Mn2 Hg2 I8]'
_cell_volume [704.3548]
_cell_formula_units_Z [2]
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  0.1931  0.2500  0.5541  1.0
  Mn  Mn1  2  0.2789  0.7500  0.2868  1.0
  Hg  Hg2  2  0.3936  0.2500  0.1800  1.0
  I  I3  4  0.1028  0.5008  0.2430  1.0
  I  I4  2  0.3637  0.7500  0.5587  1.0
  I  I5  2  0.4549  0.2500  0.8636  1.0
]