# generated using pymatgen
data_TiCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35191069
_cell_length_b   7.30547474
_cell_length_c   12.18590214
_cell_angle_alpha   81.56414697
_cell_angle_beta   85.24882418
_cell_angle_gamma   90.11859904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrCuS4
_chemical_formula_sum   'Ti4 Cr4 Cu4 S16'
_cell_volume   557.37318504
_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  0.14063700  0.70172200  0.70316800  1.0
  Ti  Ti1  1  0.85675200  0.29607600  0.29893700  1.0
  Ti  Ti2  1  0.77605900  0.11025900  0.99938400  1.0
  Ti  Ti3  1  0.36629200  0.55903900  0.29455400  1.0
  Cr  Cr4  1  0.24221800  0.88187000  0.99919800  1.0
  Cr  Cr5  1  0.63129000  0.44086200  0.70688900  1.0
  Cr  Cr6  1  0.37506900  0.04762500  0.29216800  1.0
  Cr  Cr7  1  0.63306700  0.95535700  0.70357000  1.0
  Cu  Cu8  1  0.12656100  0.19972300  0.70316700  1.0
  Cu  Cu9  1  0.87076700  0.80198500  0.29535000  1.0
  Cu  Cu10  1  0.25441900  0.37380000  0.99483900  1.0
  Cu  Cu11  1  0.74600900  0.62751800  0.00150300  1.0
  S  S12  1  0.10425800  0.65456600  0.89255300  1.0
  S  S13  1  0.88907800  0.34779500  0.11040000  1.0
  S  S14  1  0.10081900  0.14708700  0.89345300  1.0
  S  S15  1  0.90448600  0.84824900  0.10499800  1.0
  S  S16  1  0.18850500  0.78437400  0.36851100  1.0
  S  S17  1  0.80539500  0.21931000  0.63486000  1.0
  S  S18  1  0.19090400  0.28060900  0.36678400  1.0
  S  S19  1  0.80473500  0.71289200  0.63701000  1.0
  S  S20  1  0.31429600  0.97229000  0.63262600  1.0
  S  S21  1  0.68779700  0.02781100  0.37163800  1.0
  S  S22  1  0.31514900  0.46197500  0.63477400  1.0
  S  S23  1  0.68852300  0.53797000  0.36958200  1.0
  S  S24  1  0.39917700  0.09632300  0.10327200  1.0
  S  S25  1  0.58707800  0.90614100  0.89155200  1.0
  S  S26  1  0.39243800  0.60813500  0.10456500  1.0
  S  S27  1  0.60822100  0.39864000  0.89069400  1.0