data_[V7S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4703]
_cell_length_b [6.5159]
_cell_length_c [6.7241]
_cell_angle_alpha [61.4685]
_cell_angle_beta [75.9820]
_cell_angle_gamma [60.4731]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V7S8]
_chemical_formula_sum '[V7 S8]'
_cell_volume [216.7042]
_cell_formula_units_Z [1]
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  2  0.0126  0.1924  0.0048  1.0
  V  V1  2  0.4696  0.7967  0.9911  1.0
  V  V2  1  0.0000  0.0000  0.5000  1.0
  V  V3  1  0.0000  0.5000  0.5000  1.0
  V  V4  1  0.5000  0.5000  0.5000  1.0
  S  S5  2  0.1678  0.5316  0.7675  1.0
  S  S6  2  0.1810  0.0488  0.7257  1.0
  S  S7  2  0.3310  0.4687  0.2351  1.0
  S  S8  2  0.3330  0.9589  0.2596  1.0
]