# generated using pymatgen
data_TiCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73075100
_cell_length_b   7.03621800
_cell_length_c   11.88069400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrCuS4
_chemical_formula_sum   'Ti4 Cr4 Cu4 S16'
_cell_volume   479.06300651
_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  0.02637800  0.75000000  0.24951600  1.0
  Ti  Ti1  1  0.97362200  0.25000000  0.75048400  1.0
  Ti  Ti2  1  0.52637800  0.25000000  0.25048400  1.0
  Ti  Ti3  1  0.47362200  0.75000000  0.74951600  1.0
  Cr  Cr4  1  0.50000000  0.00000000  0.00000000  1.0
  Cr  Cr5  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr6  1  0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr7  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu8  1  0.89584000  0.25000000  0.09577900  1.0
  Cu  Cu9  1  0.10416000  0.75000000  0.90422100  1.0
  Cu  Cu10  1  0.39584000  0.75000000  0.40422100  1.0
  Cu  Cu11  1  0.60416000  0.25000000  0.59577900  1.0
  S  S12  1  0.73468400  0.98692900  0.16956300  1.0
  S  S13  1  0.26531600  0.01307100  0.83043700  1.0
  S  S14  1  0.23468400  0.01307100  0.33043700  1.0
  S  S15  1  0.76531600  0.98692900  0.66956300  1.0
  S  S16  1  0.76531600  0.51307100  0.66956300  1.0
  S  S17  1  0.23468400  0.48692900  0.33043700  1.0
  S  S18  1  0.26531600  0.48692900  0.83043700  1.0
  S  S19  1  0.73468400  0.51307100  0.16956300  1.0
  S  S20  1  0.26492900  0.75000000  0.08328900  1.0
  S  S21  1  0.73507100  0.25000000  0.91671100  1.0
  S  S22  1  0.76492900  0.25000000  0.41671100  1.0
  S  S23  1  0.23507100  0.75000000  0.58328900  1.0
  S  S24  1  0.28352500  0.25000000  0.08375900  1.0
  S  S25  1  0.71647500  0.75000000  0.91624100  1.0
  S  S26  1  0.78352500  0.75000000  0.41624100  1.0
  S  S27  1  0.21647500  0.25000000  0.58375900  1.0