data_[K6Mn3Au3I18]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2179]
_cell_length_b [8.2179]
_cell_length_c [20.9733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2MnAuI6]
_chemical_formula_sum '[K6 Mn3 Au3 I18]'
_cell_volume [1226.6328]
_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  3  0.0000  0.0000  0.0395  1.0
  K  K1  3  0.0000  0.0000  0.5625  1.0
  Mn  Mn2  3  0.0000  0.0000  0.3221  1.0
  Au  Au3  3  0.0000  0.0000  0.7415  1.0
  I  I4  9  0.0352  0.5973  0.0816  1.0
  I  I5  9  0.1059  0.3541  0.9197  1.0
]