# generated using pymatgen
data_Ca(TiS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69819041
_cell_length_b   7.69819041
_cell_length_c   7.69819041
_cell_angle_alpha   122.72196336
_cell_angle_beta   122.72196336
_cell_angle_gamma   85.34672496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(TiS2)2
_chemical_formula_sum   'Ca2 Ti4 S8'
_cell_volume   308.20887781
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.25000000  0.75000000  0.50000000  1.0
  Ti  Ti2  1  0.87500000  0.12500000  0.25000000  1.0
  Ti  Ti3  1  0.37500000  0.12500000  0.25000000  1.0
  Ti  Ti4  1  0.87500000  0.62500000  0.75000000  1.0
  Ti  Ti5  1  0.87500000  0.12500000  0.75000000  1.0
  S  S6  1  0.67146700  0.90115100  0.77031600  1.0
  S  S7  1  0.09884900  0.86916500  0.77031600  1.0
  S  S8  1  0.09884900  0.32853300  0.22968400  1.0
  S  S9  1  0.07853300  0.34884900  0.72968400  1.0
  S  S10  1  0.61916500  0.34884900  0.27031600  1.0
  S  S11  1  0.65115100  0.38083500  0.72968400  1.0
  S  S12  1  0.13083500  0.90115100  0.22968400  1.0
  S  S13  1  0.65115100  0.92146700  0.27031600  1.0