# generated using pymatgen
data_Ti3VS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25082500
_cell_length_b   5.61024700
_cell_length_c   6.37541010
_cell_angle_alpha   89.98962002
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3VS4
_chemical_formula_sum   'Ti3 V1 S4'
_cell_volume   116.27428898
_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
  Ti  Ti0  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.00000000  1.0
  V  V3  1  0.00000000  0.00000000  0.50000000  1.0
  S  S4  1  0.50000000  0.83702400  0.25411300  1.0
  S  S5  1  0.00000000  0.33029100  0.25251300  1.0
  S  S6  1  0.00000000  0.66970900  0.74748700  1.0
  S  S7  1  0.50000000  0.16297600  0.74588700  1.0