data_[K2Y2In2Te6]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2913]
_cell_length_b [4.3117]
_cell_length_c [11.6907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KYInTe3]
_chemical_formula_sum '[K2 Y2 In2 Te6]'
_cell_volume [446.3938]
_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  2  0.2268  0.7500  0.2782  1
  Y  Y1  2  0.3617  0.2500  0.8451  1
  In  In2  2  0.1239  0.7500  0.5704  1
  Te  Te3  2  0.1102  0.7500  0.8116  1
  Te  Te4  2  0.3435  0.2500  0.5708  1
  Te  Te5  2  0.3930  0.2500  0.1144  1
]