data_[Th2V2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3853]
_cell_length_b [6.5193]
_cell_length_c [6.3091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ThVS4]
_chemical_formula_sum '[Th2 V2 S8]'
_cell_volume [259.3141]
_cell_formula_units_Z [2]
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
[
  Th  Th0  2  0.0000  0.0000  0.0000  1
  V  V1  2  0.5000  0.0000  0.5000  1
  S  S2  4  0.1816  0.6495  0.9024  1
  S  S3  4  0.3395  0.2084  0.7665  1
]