data_[V12Ge3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2761]
_cell_length_b [7.2761]
_cell_length_c [17.4812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [V4GeSe8]
_chemical_formula_sum '[V12 Ge3 Se24]'
_cell_volume [801.4921]
_cell_formula_units_Z [3]
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  9  0.1955  0.3910  0.1981  1.0
  V  V1  3  0.0000  0.0000  0.4057  1.0
  Ge  Ge2  3  0.0000  0.0000  0.9960  1.0
  Se  Se3  9  0.1776  0.3553  0.4580  1.0
  Se  Se4  9  0.1863  0.3727  0.9547  1.0
  Se  Se5  3  0.0000  0.0000  0.1368  1.0
  Se  Se6  3  0.0000  0.0000  0.6288  1.0
]