data_[Rb1Mg2Mn1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2377]
_cell_length_b [7.3044]
_cell_length_c [10.7087]
_cell_angle_alpha [83.1091]
_cell_angle_beta [88.3563]
_cell_angle_gamma [69.6578]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbMg2MnI8]
_chemical_formula_sum '[Rb1 Mg2 Mn1 I8]'
_cell_volume [526.9452]
_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  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  2  0.3701  0.3697  0.7956  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.2061  0.7406  0.1948  1.0
  I  I4  2  0.2318  0.2199  0.0180  1.0
  I  I5  2  0.2748  0.7682  0.8103  1.0
  I  I6  2  0.3100  0.3026  0.5636  1.0
]