data_[V4Cu4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [6.1125]
_cell_length_b [16.5914]
_cell_length_c [6.2116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [VCuSe4]
_chemical_formula_sum '[V4 Cu4 Se16]'
_cell_volume [552.8318]
_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
[
  V  V0  4  0.0000  0.0791  0.2500  1
  Cu  Cu1  4  0.0000  0.4302  0.7500  1
  Se  Se2  8  0.2371  0.0486  0.7070  1
  Se  Se3  8  0.2490  0.3178  0.7568  1
]