# generated using pymatgen
data_TlCu3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81106161
_cell_length_b   7.46095622
_cell_length_c   8.39545820
_cell_angle_alpha   110.42931573
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.79731294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu3S2
_chemical_formula_sum   'Tl2 Cu6 S4'
_cell_volume   215.23476001
_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
  Tl  Tl0  1  0.85961774  0.71923449  0.94919504  1.0
  Tl  Tl1  1  0.14038226  0.28076551  0.05080496  1.0
  Cu  Cu2  1  0.41098302  0.82196604  0.36268774  1.0
  Cu  Cu3  1  0.31307503  0.62614806  0.57914990  1.0
  Cu  Cu4  1  0.05854718  0.11709235  0.40349226  1.0
  Cu  Cu5  1  0.94145282  0.88290765  0.59650774  1.0
  Cu  Cu6  1  0.68692497  0.37385194  0.42085010  1.0
  Cu  Cu7  1  0.58901698  0.17803396  0.63731226  1.0
  S  S8  1  0.47623685  0.95247470  0.76791361  1.0
  S  S9  1  0.52376315  0.04752530  0.23208639  1.0
  S  S10  1  0.81373644  0.62746989  0.33145406  1.0
  S  S11  1  0.18626356  0.37253011  0.66854594  1.0