# generated using pymatgen
data_TiCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71998600
_cell_length_b   6.95603243
_cell_length_c   12.01325956
_cell_angle_alpha   90.22094240
_cell_angle_beta   90.20025229
_cell_angle_gamma   90.65348448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrCuS4
_chemical_formula_sum   'Ti4 Cr4 Cu4 S16'
_cell_volume   477.95083798
_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  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.51882500  0.23865000  0.75294900  1.0
  Ti  Ti3  1  0.48117500  0.76135000  0.24705100  1.0
  Cr  Cr4  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr5  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr6  1  0.01262700  0.74057000  0.75305300  1.0
  Cr  Cr7  1  0.98737300  0.25943000  0.24694700  1.0
  Cu  Cu8  1  0.88729700  0.24482900  0.91205600  1.0
  Cu  Cu9  1  0.11270300  0.75517100  0.08794400  1.0
  Cu  Cu10  1  0.39428000  0.74252700  0.58875300  1.0
  Cu  Cu11  1  0.60572000  0.25747300  0.41124700  1.0
  S  S12  1  0.74015300  0.98182800  0.82912200  1.0
  S  S13  1  0.25984700  0.01817200  0.17087800  1.0
  S  S14  1  0.22651600  0.00151700  0.67003400  1.0
  S  S15  1  0.77348400  0.99848300  0.32996600  1.0
  S  S16  1  0.76711500  0.51531000  0.32960900  1.0
  S  S17  1  0.23288500  0.48469000  0.67039100  1.0
  S  S18  1  0.26654700  0.49439500  0.16901700  1.0
  S  S19  1  0.73345300  0.50560500  0.83098300  1.0
  S  S20  1  0.26009200  0.74536600  0.91357100  1.0
  S  S21  1  0.73990800  0.25463400  0.08642900  1.0
  S  S22  1  0.75360100  0.24421300  0.58588600  1.0
  S  S23  1  0.24639900  0.75578700  0.41411400  1.0
  S  S24  1  0.27441600  0.25018700  0.91754900  1.0
  S  S25  1  0.72558400  0.74981300  0.08245100  1.0
  S  S26  1  0.78268200  0.75064600  0.58715900  1.0
  S  S27  1  0.21731800  0.24935400  0.41284100  1.0