# generated using pymatgen
data_TiVS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31811200
_cell_length_b   5.84552800
_cell_length_c   5.97442100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVS2
_chemical_formula_sum   'Ti2 V2 S4'
_cell_volume   115.88056635
_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
  Ti  Ti0  1  0.00000000  0.05896100  0.50892800  1.0
  Ti  Ti1  1  0.00000000  0.94103900  0.00892800  1.0
  V  V2  1  0.50000000  0.44213200  0.48543400  1.0
  V  V3  1  0.50000000  0.55786800  0.98543400  1.0
  S  S4  1  0.00000000  0.66370600  0.71938200  1.0
  S  S5  1  0.00000000  0.33629400  0.21938200  1.0
  S  S6  1  0.50000000  0.82072700  0.28625600  1.0
  S  S7  1  0.50000000  0.17927300  0.78625600  1.0