# generated using pymatgen
data_Ta3(CuS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35807816
_cell_length_b   3.35808600
_cell_length_c   41.74184502
_cell_angle_alpha   89.99985900
_cell_angle_beta   89.99699758
_cell_angle_gamma   59.99981250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3(CuS3)2
_chemical_formula_sum   'Ta6 Cu4 S12'
_cell_volume   407.64682699
_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  0.33333800  0.33333000  0.25724300  1.0
  Ta  Ta1  1  0.33328200  0.33336000  0.58103700  1.0
  Ta  Ta2  1  0.33333900  0.33333000  0.91437600  1.0
  Ta  Ta3  1  0.66671500  0.66664300  0.07605200  1.0
  Ta  Ta4  1  0.66668000  0.66666200  0.41967500  1.0
  Ta  Ta5  1  0.66668300  0.66665800  0.75286800  1.0
  Cu  Cu6  1  0.33337100  0.33331100  0.18673600  1.0
  Cu  Cu7  1  0.33334800  0.33332400  0.51006100  1.0
  Cu  Cu8  1  0.33332200  0.33333800  0.84336400  1.0
  Cu  Cu9  1  0.66664600  0.66667800  0.14659100  1.0
  S  S10  1  0.33333900  0.33333000  0.11366900  1.0
  S  S11  1  0.33331500  0.33334300  0.45711100  1.0
  S  S12  1  0.33332300  0.33333800  0.79034500  1.0
  S  S13  1  0.66671100  0.66664400  0.21966000  1.0
  S  S14  1  0.66665900  0.66667200  0.54263100  1.0
  S  S15  1  0.66669900  0.66665000  0.87596100  1.0
  S  S16  1  0.66664300  0.66667800  0.29403300  1.0
  S  S17  1  0.66658700  0.66670700  0.61758800  1.0
  S  S18  1  0.66664400  0.66667600  0.95091200  1.0
  S  S19  1  0.33340700  0.33329800  0.03928100  1.0
  S  S20  1  0.33337500  0.33331500  0.38348000  1.0
  S  S21  1  0.33337300  0.33331500  0.71665800  1.0