# generated using pymatgen
data_Ni3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22470335
_cell_length_b   4.49736830
_cell_length_c   5.27822197
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Sn
_chemical_formula_sum   'Ni6 Sn2'
_cell_volume   100.28646510
_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
  Ni  Ni0  1  0.50000000  0.16895494  0.74814595  1.0
  Ni  Ni1  1  0.50000000  0.16895494  0.25185405  1.0
  Ni  Ni2  1  0.00000000  0.83104506  0.75185405  1.0
  Ni  Ni3  1  -0.00000000  0.83104506  0.24814595  1.0
  Ni  Ni4  1  -0.00000000  0.30429741  0.50000000  1.0
  Ni  Ni5  1  0.50000000  0.69570259  0.00000000  1.0
  Sn  Sn6  1  0.50000000  0.67030977  0.50000000  1.0
  Sn  Sn7  1  0.00000000  0.32969023  0.00000000  1.0