# generated using pymatgen
data_TiCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28099739
_cell_length_b   7.30378298
_cell_length_c   12.38707073
_cell_angle_alpha   81.56525449
_cell_angle_beta   85.16688242
_cell_angle_gamma   89.89335911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrCuS4
_chemical_formula_sum   'Ti4 Cr4 Cu4 S16'
_cell_volume   560.08041911
_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  0.85656900  0.29926700  0.29579400  1.0
  Ti  Ti1  1  0.23678800  0.88554800  0.00024800  1.0
  Ti  Ti2  1  0.76368400  0.10900200  0.99834600  1.0
  Ti  Ti3  1  0.62974000  0.44414700  0.70623700  1.0
  Cr  Cr4  1  0.14805800  0.70186600  0.70937000  1.0
  Cr  Cr5  1  0.36558400  0.55726400  0.28962200  1.0
  Cr  Cr6  1  0.36690600  0.04391200  0.29520100  1.0
  Cr  Cr7  1  0.62280900  0.94996700  0.70466400  1.0
  Cu  Cu8  1  0.13297300  0.19972200  0.70193500  1.0
  Cu  Cu9  1  0.87569000  0.80255800  0.29866600  1.0
  Cu  Cu10  1  0.25079500  0.37723100  0.99728900  1.0
  Cu  Cu11  1  0.75025100  0.63148600  0.00293300  1.0
  S  S12  1  0.10467200  0.65333200  0.89241900  1.0
  S  S13  1  0.89369800  0.34592600  0.10940000  1.0
  S  S14  1  0.09844600  0.14724700  0.89205400  1.0
  S  S15  1  0.90266000  0.85348100  0.10917700  1.0
  S  S16  1  0.19965100  0.77848300  0.36449100  1.0
  S  S17  1  0.80667600  0.21576300  0.63019200  1.0
  S  S18  1  0.19469600  0.28765700  0.36043500  1.0
  S  S19  1  0.81941800  0.71797300  0.63901000  1.0
  S  S20  1  0.30869400  0.96328700  0.63350400  1.0
  S  S21  1  0.68512200  0.02957200  0.36900600  1.0
  S  S22  1  0.30684700  0.46799600  0.63324000  1.0
  S  S23  1  0.68216700  0.54165400  0.36166500  1.0
  S  S24  1  0.40490100  0.09344700  0.10923000  1.0
  S  S25  1  0.59177500  0.90376000  0.89256500  1.0
  S  S26  1  0.39683700  0.60337800  0.10899300  1.0
  S  S27  1  0.60389100  0.39507400  0.89431400  1.0