data_[K2In2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [4.4318]
_cell_length_b [5.4477]
_cell_length_c [9.7085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KInTe]
_chemical_formula_sum '[K2 In2 Te2]'
_cell_volume [228.4121]
_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  0.3308  0.2500  0.6554  1
  In  In1  2  0.4703  0.7500  0.9384  1
  Te  Te2  2  0.1340  0.2500  0.2734  1
]