# generated using pymatgen
data_SmTi2(Nb2Sn3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76579767
_cell_length_b   5.77160946
_cell_length_c   9.64031905
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.96668416
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTi2(Nb2Sn3)2
_chemical_formula_sum   'Sm1 Ti2 Nb4 Sn6'
_cell_volume   277.92273432
_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
  Sm  Sm0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.00000000  0.75005068  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.24994932  1.0
  Nb  Nb3  1  0.00000000  0.50000000  0.75065878  1.0
  Nb  Nb4  1  0.50000000  0.50000000  0.75065878  1.0
  Nb  Nb5  1  0.00000000  0.50000000  0.24934122  1.0
  Nb  Nb6  1  0.50000000  0.50000000  0.24934122  1.0
  Sn  Sn7  1  0.66388887  0.32777675  0.50000000  1.0
  Sn  Sn8  1  0.33611113  0.67222325  0.50000000  1.0
  Sn  Sn9  1  0.66472812  0.32945324  0.00000000  1.0
  Sn  Sn10  1  0.33527188  0.67054676  0.00000000  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.67594998  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.32405002  1.0