# generated using pymatgen
data_Sc3Nb(SnRu2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51048890
_cell_length_b   6.38901495
_cell_length_c   9.01418938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Nb(SnRu2)4
_chemical_formula_sum   'Sc3 Nb1 Sn4 Ru8'
_cell_volume   259.76713246
_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
  Sc  Sc0  1  0.99990343  0.00000000  0.00044399  1.0
  Sc  Sc1  1  0.99990343  0.00000000  0.49955601  1.0
  Sc  Sc2  1  0.50022491  0.50000000  0.75000000  1.0
  Nb  Nb3  1  0.50003939  0.50000000  0.25000000  1.0
  Sn  Sn4  1  0.50028531  0.00000000  0.75000000  1.0
  Sn  Sn5  1  0.49975629  0.00000000  0.25000000  1.0
  Sn  Sn6  1  0.99995659  0.50000000  0.99557184  1.0
  Sn  Sn7  1  0.99995659  0.50000000  0.50442816  1.0
  Ru  Ru8  1  0.49992796  0.74674167  0.00471279  1.0
  Ru  Ru9  1  0.49992796  0.74674167  0.49528721  1.0
  Ru  Ru10  1  0.49992796  0.25325833  0.00471279  1.0
  Ru  Ru11  1  0.49992796  0.25325833  0.49528721  1.0
  Ru  Ru12  1  0.00025836  0.24778981  0.75000000  1.0
  Ru  Ru13  1  0.99987474  0.25869402  0.25000000  1.0
  Ru  Ru14  1  0.99987474  0.74130598  0.25000000  1.0
  Ru  Ru15  1  0.00025836  0.75221019  0.75000000  1.0