data_[K1Cu1Pt1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1555]
_cell_length_b [7.4755]
_cell_length_c [8.4175]
_cell_angle_alpha [81.6740]
_cell_angle_beta [67.2101]
_cell_angle_gamma [63.1943]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KCuPtI6]
_chemical_formula_sum '[K1 Cu1 Pt1 I6]'
_cell_volume [370.2568]
_cell_formula_units_Z [1]
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  1  0.8402  0.0550  0.9583  1
  Cu  Cu1  1  0.4033  0.2486  0.4820  1
  Pt  Pt2  1  0.6797  0.6709  0.5070  1
  I  I3  1  0.0401  0.6875  0.2421  1
  I  I4  1  0.3491  0.6163  0.7791  1
  I  I5  1  0.4140  0.9433  0.3429  1
  I  I6  1  0.5864  0.9870  0.6954  1
  I  I7  1  0.7161  0.3683  0.3283  1
  I  I8  1  0.9713  0.4230  0.6650  1
]