# generated using pymatgen
data_TiCuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72712520
_cell_length_b   6.17257321
_cell_length_c   7.09204763
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCuSi
_chemical_formula_sum   'Ti4 Cu4 Si4'
_cell_volume   163.15931558
_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  0.75000000  0.48190563  0.68328991  1.0
  Ti  Ti1  1  0.25000000  0.01809437  0.18328991  1.0
  Ti  Ti2  1  0.75000000  0.98190563  0.81671009  1.0
  Ti  Ti3  1  0.25000000  0.51809437  0.31671009  1.0
  Cu  Cu4  1  0.25000000  0.65523510  0.93155968  1.0
  Cu  Cu5  1  0.25000000  0.15523510  0.56844032  1.0
  Cu  Cu6  1  0.75000000  0.84476490  0.43155968  1.0
  Cu  Cu7  1  0.75000000  0.34476490  0.06844032  1.0
  Si  Si8  1  0.25000000  0.26875782  0.88405429  1.0
  Si  Si9  1  0.25000000  0.76875782  0.61594571  1.0
  Si  Si10  1  0.75000000  0.73124218  0.11594571  1.0
  Si  Si11  1  0.75000000  0.23124218  0.38405429  1.0