data_[K3Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [8.3852]
_cell_length_b [6.2851]
_cell_length_c [17.8924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [K3Se4]
_chemical_formula_sum '[K3 Se4]'
_cell_volume [942.9633]
_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  0.3322  0.1188  0.9192  1
  K  K1  1  0.0000  0.6298  0.0000  1
  Se  Se2  2  0.3385  0.8318  0.0755  1
  Se  Se3  1  0.0000  0.1259  0.0000  1
  Se  Se4  1  0.5000  0.6080  0.0000  1
]