# generated using pymatgen
data_TiCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38745800
_cell_length_b   5.76670100
_cell_length_c   11.49794971
_cell_angle_alpha   89.58769226
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrCuS4
_chemical_formula_sum   'Ti2 Cr2 Cu2 S8'
_cell_volume   224.60039361
_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
  Ti  Ti0  1  0.25000000  0.24431500  0.99522100  1.0
  Ti  Ti1  1  0.75000000  0.75568500  0.00477900  1.0
  Cr  Cr2  1  0.25000000  0.30336700  0.50367100  1.0
  Cr  Cr3  1  0.75000000  0.69663300  0.49632900  1.0
  Cu  Cu4  1  0.75000000  0.76087800  0.74003800  1.0
  Cu  Cu5  1  0.25000000  0.23912200  0.25996200  1.0
  S  S6  1  0.75000000  0.40506200  0.62899500  1.0
  S  S7  1  0.75000000  0.08463100  0.86887400  1.0
  S  S8  1  0.25000000  0.91536900  0.13112600  1.0
  S  S9  1  0.25000000  0.59493800  0.37100500  1.0
  S  S10  1  0.25000000  0.91227400  0.60103400  1.0
  S  S11  1  0.25000000  0.58742100  0.87363500  1.0
  S  S12  1  0.75000000  0.41257900  0.12636500  1.0
  S  S13  1  0.75000000  0.08772600  0.39896600  1.0