data_[K2Cu3Se4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4109]
_cell_length_b [7.0765]
_cell_length_c [8.3643]
_cell_angle_alpha [95.5410]
_cell_angle_beta [108.5446]
_cell_angle_gamma [92.5124]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2Cu3(SeO3)4]
_chemical_formula_sum '[K2 Cu3 Se4 O12]'
_cell_volume [301.2763]
_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  0.1515  0.5844  0.2954  1
  Cu  Cu1  2  0.3949  0.7362  0.7794  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  Se  Se3  2  0.2030  0.1324  0.4212  1
  Se  Se4  2  0.4265  0.1883  0.8671  1
  O  O5  2  0.0534  0.7238  0.6095  1
  O  O6  2  0.1196  0.9604  0.2473  1
  O  O7  2  0.2679  0.7600  0.9722  1
  O  O8  2  0.2748  0.2109  0.0316  1
  O  O9  2  0.3724  0.3842  0.7687  1
  O  O10  2  0.4453  0.2821  0.3958  1
]