# generated using pymatgen
data_Ti2CoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61111806
_cell_length_b   6.61111806
_cell_length_c   5.92437754
_cell_angle_alpha   63.28255150
_cell_angle_beta   63.28255150
_cell_angle_gamma   30.02574026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoS4
_chemical_formula_sum   'Ti2 Co1 S4'
_cell_volume   114.67599693
_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
  Ti  Ti0  1  0.74566680  0.74566680  0.26560290  1.0
  Ti  Ti1  1  0.25433320  0.25433320  0.73439710  1.0
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.88056526  0.88056526  0.44884803  1.0
  S  S4  1  0.11943474  0.11943474  0.55115197  1.0
  S  S5  1  0.62537974  0.62537974  0.03889407  1.0
  S  S6  1  0.37462026  0.37462026  0.96110593  1.0