data_[Rb4Mn4Sn4I20]
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
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5442]
_cell_length_b [13.8128]
_cell_length_c [11.5349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbMnSnI5]
_chemical_formula_sum '[Rb4 Mn4 Sn4 I20]'
_cell_volume [1529.6333]
_cell_formula_units_Z [4]
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  4  0.0000  0.3502  0.7500  1.0
  Mn  Mn1  4  0.0000  0.3149  0.2500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.1194  0.2106  0.1229  1.0
  I  I4  8  0.1818  0.4302  0.4357  1.0
  I  I5  4  0.0000  0.0864  0.7500  1.0
]