# generated using pymatgen
data_Nd2PtI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45063481
_cell_length_b   8.45063424
_cell_length_c   8.45063465
_cell_angle_alpha   29.14981586
_cell_angle_beta   29.14982028
_cell_angle_gamma   29.14981323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2PtI
_chemical_formula_sum   'Nd2 Pt1 I1'
_cell_volume   126.67237212
_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
  Nd  Nd0  1  0.22939602  0.22939602  0.22939602  1.0
  Nd  Nd1  1  0.77060398  0.77060398  0.77060398  1.0
  Pt  Pt2  1  0.50000000  0.50000000  0.50000000  1.0
  I  I3  1  0.00000000  0.00000000  0.00000000  1.0