# generated using pymatgen
data_TiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57368108
_cell_length_b   5.57367879
_cell_length_c   4.49078659
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt3
_chemical_formula_sum   'Ti2 Pt6'
_cell_volume   120.81951682
_cell_formula_units_Z   2
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  0.33333300  0.66666600  0.74999900  1.0
  Ti  Ti1  1  0.66666600  0.33333300  0.24999900  1.0
  Pt  Pt2  1  0.16720780  0.33441559  0.24999900  1.0
  Pt  Pt3  1  0.66558541  0.83279520  0.24999900  1.0
  Pt  Pt4  1  0.16720880  0.83279520  0.24999900  1.0
  Pt  Pt5  1  0.83279220  0.66558541  0.74999900  1.0
  Pt  Pt6  1  0.33441559  0.16720880  0.74999900  1.0
  Pt  Pt7  1  0.83279220  0.16720880  0.74999900  1.0