data_[K6Mn3Sn3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [R-3]
_cell_length_a [8.4364]
_cell_length_b [8.4364]
_cell_length_c [20.5136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K2MnSnI6]
_chemical_formula_sum '[K6 Mn3 Sn3 I18]'
_cell_volume [1264.4181]
_cell_formula_units_Z [3]
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
[
  K  K0  6  0.0000  0.0000  0.2809  1.0
  Mn  Mn1  3  -0.0000  0.0000  0.5000  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  I  I3  18  0.0189  0.4210  0.2472  1.0
]