# generated using pymatgen
data_TaCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51188539
_cell_length_b   9.52958893
_cell_length_c   11.89053138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuS3
_chemical_formula_sum   'Ta4 Cu4 S12'
_cell_volume   397.93832258
_cell_formula_units_Z   4
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  0.75000000  0.60659369  0.63179909  1.0
  Ta  Ta1  1  0.25000000  0.39340631  0.36820091  1.0
  Ta  Ta2  1  0.75000000  0.10659369  0.86820091  1.0
  Ta  Ta3  1  0.25000000  0.89340631  0.13179909  1.0
  Cu  Cu4  1  0.75000000  0.77133074  0.28559193  1.0
  Cu  Cu5  1  0.25000000  0.72866926  0.78559193  1.0
  Cu  Cu6  1  0.75000000  0.27133074  0.21440807  1.0
  Cu  Cu7  1  0.25000000  0.22866926  0.71440807  1.0
  S  S8  1  0.75000000  0.08066795  0.09859573  1.0
  S  S9  1  0.25000000  0.91604646  0.32298620  1.0
  S  S10  1  0.75000000  0.08395354  0.67701380  1.0
  S  S11  1  0.25000000  0.41604646  0.17701380  1.0
  S  S12  1  0.75000000  0.72261941  0.09877740  1.0
  S  S13  1  0.25000000  0.27738059  0.90122260  1.0
  S  S14  1  0.75000000  0.22261941  0.40122260  1.0
  S  S15  1  0.25000000  0.77738059  0.59877740  1.0
  S  S16  1  0.75000000  0.58066795  0.40140427  1.0
  S  S17  1  0.25000000  0.41933205  0.59859573  1.0
  S  S18  1  0.25000000  0.91933205  0.90140427  1.0
  S  S19  1  0.75000000  0.58395354  0.82298620  1.0