data_[V4Ge4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7872]
_cell_length_b [20.5333]
_cell_length_c [6.2270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [VGeS3]
_chemical_formula_sum '[V4 Ge4 S12]'
_cell_volume [484.2352]
_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  0.1173  0.9345  1
  Ge  Ge1  4  0.0000  0.3370  0.0149  1
  S  S2  4  0.0000  0.1114  0.2832  1
  S  S3  4  0.0000  0.2117  0.7737  1
  S  S4  4  0.0000  0.4283  0.2879  1
]