# generated using pymatgen
data_Ti3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74143888
_cell_length_b   5.73275654
_cell_length_c   5.98024997
_cell_angle_alpha   118.64016234
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Sn
_chemical_formula_sum   'Ti6 Sn2'
_cell_volume   142.66353162
_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  0.75000000  0.82093195  0.64186389  1.0
  Ti  Ti1  1  0.25000000  0.17906805  0.35813611  1.0
  Ti  Ti2  1  0.75000000  0.83200950  0.14641367  1.0
  Ti  Ti3  1  0.25000000  0.68559583  0.85358633  1.0
  Ti  Ti4  1  0.25000000  0.16799050  0.85358633  1.0
  Ti  Ti5  1  0.75000000  0.31440417  0.14641367  1.0
  Sn  Sn6  1  0.75000000  0.33269892  0.66539885  1.0
  Sn  Sn7  1  0.25000000  0.66730108  0.33460115  1.0