# generated using pymatgen
data_Ca(TiS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13213633
_cell_length_b   7.13213633
_cell_length_c   7.13213672
_cell_angle_alpha   61.18167687
_cell_angle_beta   61.18167687
_cell_angle_gamma   61.18167465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(TiS2)4
_chemical_formula_sum   'Ca1 Ti4 S8'
_cell_volume   263.35314265
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti3  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti4  1  0.00000000  0.50000000  0.50000000  1.0
  S  S5  1  0.73797300  0.27312900  0.73797300  1.0
  S  S6  1  0.73797300  0.73797300  0.27312900  1.0
  S  S7  1  0.27312900  0.73797300  0.73797300  1.0
  S  S8  1  0.74261800  0.74261800  0.74261800  1.0
  S  S9  1  0.25738200  0.25738200  0.25738200  1.0
  S  S10  1  0.26202700  0.26202700  0.72687100  1.0
  S  S11  1  0.72687100  0.26202700  0.26202700  1.0
  S  S12  1  0.26202700  0.72687100  0.26202700  1.0