data_[K4Mn4I14]
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 [C2/m]
_cell_length_a [11.4902]
_cell_length_b [14.6124]
_cell_length_c [6.7720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Mn2I7]
_chemical_formula_sum '[K4 Mn4 I14]'
_cell_volume [1113.8349]
_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  0.0000  0.2941  0.0000  1.0
  Mn  Mn1  4  0.2224  0.0000  0.4134  1.0
  I  I2  8  0.2439  0.1572  0.2360  1.0
  I  I3  4  0.1109  0.5000  0.2592  1.0
  I  I4  2  0.0000  0.0000  0.5000  1.0
]