# generated using pymatgen
data_Ti12CuSn4Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24276271
_cell_length_b   9.18741507
_cell_length_c   5.57195711
_cell_angle_alpha   89.89191280
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.19948274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12CuSn4Sb5
_chemical_formula_sum   'Ti12 Cu1 Sn4 Sb5'
_cell_volume   408.93662143
_cell_formula_units_Z   1
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  0.84770177  0.69540353  0.74575234  1.0
  Ti  Ti1  1  0.15743866  0.84934054  0.25284948  1.0
  Ti  Ti2  1  0.69190188  0.84934054  0.25284948  1.0
  Ti  Ti3  1  0.30319627  0.15077853  0.74728982  1.0
  Ti  Ti4  1  0.84758325  0.15077853  0.74728982  1.0
  Ti  Ti5  1  0.15047413  0.30094727  0.25379494  1.0
  Ti  Ti6  1  0.50025924  0.00051748  0.49994273  1.0
  Ti  Ti7  1  0.49791052  0.50023713  0.99989991  1.0
  Ti  Ti8  1  0.00232661  0.50023713  0.99989991  1.0
  Ti  Ti9  1  0.00186777  0.50043956  0.50005867  1.0
  Ti  Ti10  1  0.50004705  0.00009410  0.00042839  1.0
  Ti  Ti11  1  0.49857079  0.50043956  0.50005867  1.0
  Cu  Cu12  1  0.99688760  0.99377620  0.49846568  1.0
  Sn  Sn13  1  0.80266671  0.60533342  0.24999960  1.0
  Sn  Sn14  1  0.66850865  0.33701730  0.75190131  1.0
  Sn  Sn15  1  0.33274607  0.66549313  0.24809590  1.0
  Sn  Sn16  1  0.99808599  0.99617199  0.00379515  1.0
  Sb  Sb17  1  0.19754032  0.39508064  0.74847661  1.0
  Sb  Sb18  1  0.80092579  0.20208735  0.25148152  1.0
  Sb  Sb19  1  0.40116156  0.20208735  0.25148152  1.0
  Sb  Sb20  1  0.60298349  0.80220136  0.74809328  1.0
  Sb  Sb21  1  0.19921787  0.80220136  0.74809328  1.0