data_[K4Mn2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9274]
_cell_length_b [8.0815]
_cell_length_c [13.7742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2MnI6]
_chemical_formula_sum '[K4 Mn2 I12]'
_cell_volume [725.8332]
_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
[
  K  K0  4  0.2297  0.5587  0.2488  1
  Mn  Mn1  2  0.5000  0.0000  0.5000  1
  I  I2  4  0.1930  0.6960  0.9681  1
  I  I3  4  0.2819  0.2258  0.9775  1
  I  I4  4  0.3220  0.0040  0.2640  1
]