# generated using pymatgen
data_TaCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37109483
_cell_length_b   3.37109483
_cell_length_c   13.33130000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuS2
_chemical_formula_sum   'Ta2 Cu2 S4'
_cell_volume   131.20337327
_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  0.33333300  0.66666700  0.24601600  1.0
  Ta  Ta1  1  0.66666700  0.33333300  0.74601600  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.46382300  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.96382300  1.0
  S  S4  1  0.33333300  0.66666700  0.86637300  1.0
  S  S5  1  0.66666700  0.33333300  0.12978800  1.0
  S  S6  1  0.66666700  0.33333300  0.36637300  1.0
  S  S7  1  0.33333300  0.66666700  0.62978800  1.0