# generated using pymatgen
data_Ta3(CuS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87978644
_cell_length_b   8.87978644
_cell_length_c   13.00738951
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   158.17720698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3(CuS3)2
_chemical_formula_sum   'Ta6 Cu4 S12'
_cell_volume   381.26871974
_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  0.27833065  0.72166935  0.25014629  1.0
  Ta  Ta1  1  0.60953845  0.39046155  0.25022879  1.0
  Ta  Ta2  1  0.94361528  0.05638472  0.24966131  1.0
  Ta  Ta3  1  0.72166935  0.27833065  0.75014629  1.0
  Ta  Ta4  1  0.05638472  0.94361528  0.74966131  1.0
  Ta  Ta5  1  0.39046155  0.60953845  0.75022879  1.0
  Cu  Cu6  1  0.27962013  0.72037987  0.03654381  1.0
  Cu  Cu7  1  0.05410359  0.94589641  0.96327177  1.0
  Cu  Cu8  1  0.72037987  0.27962013  0.53654381  1.0
  Cu  Cu9  1  0.94589641  0.05410359  0.46327177  1.0
  S  S10  1  0.28063415  0.71936585  0.62968672  1.0
  S  S11  1  0.60864618  0.39135382  0.62980451  1.0
  S  S12  1  0.94525123  0.05474877  0.63167608  1.0
  S  S13  1  0.72173889  0.27826111  0.36763920  1.0
  S  S14  1  0.05720943  0.94279057  0.36965549  1.0
  S  S15  1  0.38571324  0.61428676  0.37168604  1.0
  S  S16  1  0.71936585  0.28063415  0.12968672  1.0
  S  S17  1  0.05474877  0.94525123  0.13167608  1.0
  S  S18  1  0.39135382  0.60864618  0.12980451  1.0
  S  S19  1  0.27826111  0.72173889  0.86763920  1.0
  S  S20  1  0.61428676  0.38571324  0.87168604  1.0
  S  S21  1  0.94279057  0.05720943  0.86965549  1.0