# generated using pymatgen
data_TiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55542923
_cell_length_b   5.55542923
_cell_length_c   9.04789721
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000562
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt3
_chemical_formula_sum   'Ti4 Pt12'
_cell_volume   241.83185353
_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  0.00000000  -0.00000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  -0.00000000  -0.00000000  1.0
  Ti  Ti2  1  0.33333300  0.66666700  0.25000000  1.0
  Ti  Ti3  1  0.66666700  0.33333300  0.75000000  1.0
  Pt  Pt4  1  0.50000000  0.50000000  0.50000000  1.0
  Pt  Pt5  1  0.50000000  -0.00000000  0.50000000  1.0
  Pt  Pt6  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt7  1  0.50000000  0.50000000  -0.00000000  1.0
  Pt  Pt8  1  0.50000000  -0.00000000  -0.00000000  1.0
  Pt  Pt9  1  0.00000000  0.50000000  -0.00000000  1.0
  Pt  Pt10  1  0.83324874  0.66649949  0.25000000  1.0
  Pt  Pt11  1  0.33350051  0.16675126  0.25000000  1.0
  Pt  Pt12  1  0.83324874  0.16675126  0.25000000  1.0
  Pt  Pt13  1  0.16675126  0.33350051  0.75000000  1.0
  Pt  Pt14  1  0.66649949  0.83324874  0.75000000  1.0
  Pt  Pt15  1  0.16675126  0.83324874  0.75000000  1.0