# generated using pymatgen
data_TiCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90622100
_cell_length_b   7.00352091
_cell_length_c   12.65023046
_cell_angle_alpha   106.03526131
_cell_angle_beta   93.09277236
_cell_angle_gamma   89.78152596
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrCuS4
_chemical_formula_sum   'Ti4 Cr4 Cu4 S16'
_cell_volume   502.14304334
_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  0.04000400  0.23084700  0.74334700  1.0
  Ti  Ti1  1  0.52702000  0.53016400  0.75140900  1.0
  Ti  Ti2  1  0.45923100  0.49740700  0.25887800  1.0
  Ti  Ti3  1  0.50555500  0.98581600  0.24161700  1.0
  Cr  Cr4  1  0.02145700  0.74112200  0.74664500  1.0
  Cr  Cr5  1  0.98087800  0.24523800  0.25179200  1.0
  Cr  Cr6  1  0.98606900  0.74093800  0.25187000  1.0
  Cr  Cr7  1  0.52308200  0.00009700  0.74696900  1.0
  Cu  Cu8  1  0.34984100  0.02550800  0.02382500  1.0
  Cu  Cu9  1  0.58701000  0.02743100  0.49594300  1.0
  Cu  Cu10  1  0.06892500  0.50258800  0.50016300  1.0
  Cu  Cu11  1  0.88864900  0.50678500  0.00749200  1.0
  S  S12  1  0.85158100  0.44051300  0.63290300  1.0
  S  S13  1  0.83252100  0.55125100  0.35988200  1.0
  S  S14  1  0.20770600  0.04433900  0.86080400  1.0
  S  S15  1  0.13084200  0.94060300  0.14347500  1.0
  S  S16  1  0.19269100  0.55639700  0.86115600  1.0
  S  S17  1  0.12904600  0.43151100  0.13585000  1.0
  S  S18  1  0.83925100  0.94208300  0.63201300  1.0
  S  S19  1  0.84070600  0.04639600  0.36553600  1.0
  S  S20  1  0.70604500  0.81670800  0.86312700  1.0
  S  S21  1  0.63527500  0.20029900  0.13667900  1.0
  S  S22  1  0.36013300  0.19401400  0.63287200  1.0
  S  S23  1  0.33536500  0.81002900  0.36642800  1.0
  S  S24  1  0.33702200  0.69275400  0.63094000  1.0
  S  S25  1  0.32112200  0.30934000  0.37008700  1.0
  S  S26  1  0.70426200  0.30742200  0.85481500  1.0
  S  S27  1  0.63870900  0.68240100  0.13348400  1.0