data_[K1Y1Cu1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4203]
_cell_length_b [7.4821]
_cell_length_c [7.8948]
_cell_angle_alpha [93.5669]
_cell_angle_beta [94.1235]
_cell_angle_gamma [113.2346]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KYCuI6]
_chemical_formula_sum '[K1 Y1 Cu1 I6]'
_cell_volume [399.7589]
_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  0.9601  0.0121  0.0062  1.0
  Y  Y1  1  0.3266  0.6839  0.5150  1.0
  Cu  Cu2  1  0.7076  0.3717  0.4629  1.0
  I  I3  1  0.0060  0.3497  0.6676  1.0
  I  I4  1  0.3587  0.9761  0.7926  1.0
  I  I5  1  0.4073  0.3955  0.2632  1.0
  I  I6  1  0.6125  0.0036  0.3209  1.0
  I  I7  1  0.6359  0.5851  0.7167  1.0
  I  I8  1  0.9852  0.6220  0.2550  1.0
]