data_[Rb1Mn1I1Cl6]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8632]
_cell_length_b [6.9714]
_cell_length_c [7.6786]
_cell_angle_alpha [109.9522]
_cell_angle_beta [109.1303]
_cell_angle_gamma [102.1446]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbMnICl6]
_chemical_formula_sum '[Rb1 Mn1 I1 Cl6]'
_cell_volume [304.0380]
_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  0.0374  0.1137  0.0155  1.0
  Mn  Mn1  1  0.4940  0.2991  0.6840  1.0
  I  I2  1  0.4972  0.7962  0.1856  1.0
  Cl  Cl3  1  0.1696  0.0321  0.4470  1.0
  Cl  Cl4  1  0.2886  0.4887  0.8186  1.0
  Cl  Cl5  1  0.4793  0.4669  0.4786  1.0
  Cl  Cl6  1  0.5080  0.1313  0.8944  1.0
  Cl  Cl7  1  0.7022  0.1117  0.5504  1.0
  Cl  Cl8  1  0.8237  0.5606  0.9262  1.0
]