data_[K2In2Cu2Se6]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0764]
_cell_length_b [4.0138]
_cell_length_c [9.5191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KInCuSe3]
_chemical_formula_sum '[K2 In2 Cu2 Se6]'
_cell_volume [333.6322]
_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  0.1922  0.2500  0.2372  1.0
  In  In1  2  0.3403  0.7500  0.8728  1.0
  Cu  Cu2  2  0.0683  0.2500  0.5908  1.0
  Se  Se3  2  0.1256  0.2500  0.8583  1.0
  Se  Se4  2  0.1994  0.7500  0.5424  1.0
  Se  Se5  2  0.4635  0.7500  0.1693  1.0
]