# generated using pymatgen
data_ScGeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96186384
_cell_length_b   6.96186427
_cell_length_c   3.46499397
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeRu
_chemical_formula_sum   'Sc3 Ge3 Ru3'
_cell_volume   145.44010519
_cell_formula_units_Z   3
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  0.40050582  0.40050582  -0.00000000  1.0
  Sc  Sc1  1  0.59949418  0.00000000  -0.00000000  1.0
  Sc  Sc2  1  0.00000000  0.59949418  -0.00000000  1.0
  Ge  Ge3  1  0.66666700  0.33333300  0.50000000  1.0
  Ge  Ge4  1  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge5  1  0.33333300  0.66666700  0.50000000  1.0
  Ru  Ru6  1  0.00000000  0.25239770  0.50000000  1.0
  Ru  Ru7  1  0.74760230  0.74760230  0.50000000  1.0
  Ru  Ru8  1  0.25239770  0.00000000  0.50000000  1.0