# generated using pymatgen
data_TlCdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94370550
_cell_length_b   3.94370550
_cell_length_c   6.95761700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdS2
_chemical_formula_sum   'Tl1 Cd1 S2'
_cell_volume   93.71306417
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd1  1  0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.66666700  0.33333300  0.77828200  1.0
  S  S3  1  0.33333300  0.66666700  0.22171800  1.0