data_[Cs4V4Cu8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Ama2]
_cell_length_a [7.7915]
_cell_length_b [19.4288]
_cell_length_c [5.6763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [CsV(CuSe2)2]
_chemical_formula_sum '[Cs4 V4 Cu8 Se16]'
_cell_volume [859.2691]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.2500  0.1842  0.0064  1
  V  V1  4  0.2500  0.3957  0.7520  1
  Cu  Cu2  4  0.0000  0.0000  0.2656  1
  Cu  Cu3  4  0.2500  0.3949  0.2507  1
  Se  Se4  8  0.0045  0.3936  0.9883  1
  Se  Se5  4  0.2500  0.2986  0.5179  1
  Se  Se6  4  0.2500  0.4952  0.5092  1
]