# generated using pymatgen
data_Ca(TiS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50471505
_cell_length_b   7.50471505
_cell_length_c   5.97858222
_cell_angle_alpha   68.10610728
_cell_angle_beta   68.10610728
_cell_angle_gamma   27.33269455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(TiS2)2
_chemical_formula_sum   'Ca1 Ti2 S4'
_cell_volume   142.76901542
_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  0.25380000  0.25380000  0.73030400  1.0
  Ti  Ti2  1  0.74620000  0.74620000  0.26969600  1.0
  S  S3  1  0.64544300  0.64544300  0.01280100  1.0
  S  S4  1  0.13980800  0.13980800  0.51846400  1.0
  S  S5  1  0.86019200  0.86019200  0.48153600  1.0
  S  S6  1  0.35455700  0.35455700  0.98719900  1.0