data_[K4As4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7597]
_cell_length_b [5.2066]
_cell_length_c [8.4280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2As2Se5]
_chemical_formula_sum '[K4 As4 Se10]'
_cell_volume [585.5011]
_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  4  0.0972  0.5000  0.3446  1
  As  As1  4  0.1665  0.0000  0.8974  1
  Se  Se2  4  0.1391  0.0000  0.6156  1
  Se  Se3  4  0.1466  0.5000  0.9761  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]