data_[K8In4As4Se16]
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 [Imma]
_cell_length_a [8.4802]
_cell_length_b [8.5396]
_cell_length_c [12.0580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K2InAsSe4]
_chemical_formula_sum '[K8 In4 As4 Se16]'
_cell_volume [873.2055]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  K  K1  4  0.2500  0.2500  0.2500  1
  In  In2  4  0.0000  0.0000  0.5000  1
  As  As3  4  0.2500  0.2500  0.7500  1
  Se  Se4  8  0.0000  0.0351  0.7354  1
  Se  Se5  8  0.2202  0.7500  0.4826  1
]