# generated using pymatgen
data_Ti3Al2PtN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14960534
_cell_length_b   8.14960521
_cell_length_c   8.14960494
_cell_angle_alpha   60.00000110
_cell_angle_beta   60.00000162
_cell_angle_gamma   60.00000057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2PtN
_chemical_formula_sum   'Ti12 Al8 Pt4 N4'
_cell_volume   382.73194958
_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  0.81703453  0.81703453  0.18296547  1.0
  Ti  Ti1  1  0.06703453  0.43296547  0.43296547  1.0
  Ti  Ti2  1  0.43296547  0.06703453  0.06703453  1.0
  Ti  Ti3  1  0.06703453  0.06703453  0.43296547  1.0
  Ti  Ti4  1  0.06703453  0.43296547  0.06703453  1.0
  Ti  Ti5  1  0.43296547  0.06703453  0.43296547  1.0
  Ti  Ti6  1  0.18296547  0.81703453  0.18296547  1.0
  Ti  Ti7  1  0.18296547  0.81703453  0.81703453  1.0
  Ti  Ti8  1  0.81703453  0.18296547  0.18296547  1.0
  Ti  Ti9  1  0.81703453  0.18296547  0.81703453  1.0
  Ti  Ti10  1  0.43296547  0.43296547  0.06703453  1.0
  Ti  Ti11  1  0.18296547  0.18296547  0.81703453  1.0
  Al  Al12  1  0.41549375  0.75351674  0.41549375  1.0
  Al  Al13  1  0.83450625  0.83450625  0.49648326  1.0
  Al  Al14  1  0.49648326  0.83450625  0.83450625  1.0
  Al  Al15  1  0.83450625  0.83450625  0.83450625  1.0
  Al  Al16  1  0.75351674  0.41549375  0.41549375  1.0
  Al  Al17  1  0.41549375  0.41549375  0.41549375  1.0
  Al  Al18  1  0.41549375  0.41549375  0.75351674  1.0
  Al  Al19  1  0.83450625  0.49648326  0.83450625  1.0
  Pt  Pt20  1  0.62500000  0.12500000  0.62500000  1.0
  Pt  Pt21  1  0.62500000  0.62500000  0.12500000  1.0
  Pt  Pt22  1  0.12500000  0.62500000  0.62500000  1.0
  Pt  Pt23  1  0.62500000  0.62500000  0.62500000  1.0
  N  N24  1  0.12500000  0.62500000  0.12500000  1.0
  N  N25  1  0.12500000  0.12500000  0.62500000  1.0
  N  N26  1  0.62500000  0.12500000  0.12500000  1.0
  N  N27  1  0.12500000  0.12500000  0.12500000  1.0