data_[K2In1As2Se6]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7586]
_cell_length_b [7.3324]
_cell_length_c [7.7230]
_cell_angle_alpha [87.2396]
_cell_angle_beta [89.5139]
_cell_angle_gamma [62.6895]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2In(AsSe3)2]
_chemical_formula_sum '[K2 In1 As2 Se6]'
_cell_volume [339.6314]
_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  2  0.3329  0.3267  0.6278  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  As  As2  2  0.3152  0.3664  0.0831  1.0
  Se  Se3  2  0.1476  0.1819  0.2428  1.0
  Se  Se4  2  0.1734  0.6701  0.2463  1.0
  Se  Se5  2  0.3411  0.8342  0.7580  1.0
]