# generated using pymatgen
data_TiCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28727185
_cell_length_b   7.23860519
_cell_length_c   12.18977825
_cell_angle_alpha   81.51732843
_cell_angle_beta   84.97342570
_cell_angle_gamma   89.95094145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrCuS4
_chemical_formula_sum   'Ti4 Cr4 Cu4 S16'
_cell_volume   546.54984467
_cell_formula_units_Z   4
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  0.13898300  0.70191400  0.70137700  1.0
  Ti  Ti1  1  0.86101700  0.29808600  0.29862300  1.0
  Ti  Ti2  1  0.23732100  0.88489600  0.00065600  1.0
  Ti  Ti3  1  0.76267900  0.11510400  0.99934400  1.0
  Cr  Cr4  1  0.36800500  0.55681500  0.29516100  1.0
  Cr  Cr5  1  0.63199500  0.44318500  0.70483900  1.0
  Cr  Cr6  1  0.36704900  0.04509300  0.29873000  1.0
  Cr  Cr7  1  0.63295100  0.95490700  0.70127000  1.0
  Cu  Cu8  1  0.12805000  0.19942400  0.70128700  1.0
  Cu  Cu9  1  0.87195000  0.80057600  0.29871300  1.0
  Cu  Cu10  1  0.25345800  0.37471600  0.99795300  1.0
  Cu  Cu11  1  0.74654100  0.62528400  0.00204700  1.0
  S  S12  1  0.10538200  0.65199300  0.89048200  1.0
  S  S13  1  0.89461800  0.34800700  0.10951800  1.0
  S  S14  1  0.10000900  0.14996000  0.89181700  1.0
  S  S15  1  0.89999100  0.85004000  0.10818300  1.0
  S  S16  1  0.19290800  0.78054500  0.36788400  1.0
  S  S17  1  0.80709200  0.21945500  0.63211600  1.0
  S  S18  1  0.19288200  0.28543000  0.36959800  1.0
  S  S19  1  0.80711800  0.71457000  0.63040200  1.0
  S  S20  1  0.31408500  0.97107400  0.62754300  1.0
  S  S21  1  0.68591500  0.02892600  0.37245700  1.0
  S  S22  1  0.31612900  0.46245800  0.63157300  1.0
  S  S23  1  0.68387100  0.53754200  0.36842700  1.0
  S  S24  1  0.40458100  0.09480100  0.10944300  1.0
  S  S25  1  0.59541900  0.90519900  0.89055700  1.0
  S  S26  1  0.39445300  0.60154300  0.11071900  1.0
  S  S27  1  0.60554700  0.39845700  0.88928100  1.0