# generated using pymatgen
data_Sc5TaRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.52258725
_cell_length_b   3.19233072
_cell_length_c   4.52116294
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5TaRu6
_chemical_formula_sum   'Sc5 Ta1 Ru6'
_cell_volume   195.17214206
_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  0.75000000  0.00000000  0.24899995  1.0
  Sc  Sc1  1  0.08169665  0.00000000  0.25059839  1.0
  Sc  Sc2  1  0.41830435  0.00000000  0.25059839  1.0
  Sc  Sc3  1  0.58418828  0.00000000  0.74945239  1.0
  Sc  Sc4  1  0.91581072  0.00000000  0.74945239  1.0
  Ta  Ta5  1  0.25000000  0.00000000  0.75086778  1.0
  Ru  Ru6  1  0.58144328  0.50000100  0.24939074  1.0
  Ru  Ru7  1  0.91855772  0.50000100  0.24939074  1.0
  Ru  Ru8  1  0.25000000  0.50000100  0.25085374  1.0
  Ru  Ru9  1  0.75000000  0.50000100  0.74900265  1.0
  Ru  Ru10  1  0.09310167  0.50000100  0.75069792  1.0
  Ru  Ru11  1  0.40689733  0.50000100  0.75069792  1.0