data_[K32V16Cu16Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.8159]
_cell_length_b [13.7836]
_cell_length_c [38.6052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [K2VCuSe2]
_chemical_formula_sum '[K32 V16 Cu16 Se32]'
_cell_volume [3094.7731]
_cell_formula_units_Z [16]
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  32  0.1090  0.1363  0.2965  1
  V  V1  16  0.1250  0.1250  0.1250  1
  Cu  Cu2  16  0.1250  0.1250  0.6250  1
  Se  Se3  32  0.1192  0.1268  0.4243  1
]