# generated using pymatgen
data_TaS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98100258
_cell_length_b   4.98100258
_cell_length_c   5.34236700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.23496205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaS3
_chemical_formula_sum   'Ta2 S6'
_cell_volume   131.49086327
_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
  Ta  Ta0  1  0.99745000  0.99745000  0.00000000  1.0
  Ta  Ta1  1  0.49745000  0.49745000  0.50000000  1.0
  S  S2  1  0.61867800  0.61867800  0.00000000  1.0
  S  S3  1  0.11867800  0.11867800  0.50000000  1.0
  S  S4  1  0.12163600  0.51833700  0.82465700  1.0
  S  S5  1  0.51833700  0.12163600  0.17534300  1.0
  S  S6  1  0.62163600  0.01833700  0.67534300  1.0
  S  S7  1  0.01833700  0.62163600  0.32465700  1.0