data_[K1Si1As1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8129]
_cell_length_b [4.9812]
_cell_length_c [7.0779]
_cell_angle_alpha [96.4284]
_cell_angle_beta [91.5281]
_cell_angle_gamma [90.0651]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KSiAsSe]
_chemical_formula_sum '[K1 Si1 As1 Se1]'
_cell_volume [133.5354]
_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  1  0.7763  0.2382  0.7253  1
  Si  Si1  1  0.3052  0.7223  0.1787  1
  As  As2  1  0.8143  0.6844  0.3652  1
  Se  Se3  1  0.2841  0.7609  0.8729  1
]