# generated using pymatgen
data_Sc3BAs2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71482011
_cell_length_b   6.71482129
_cell_length_c   3.44737581
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3BAs2Ru3
_chemical_formula_sum   'Sc3 B1 As2 Ru3'
_cell_volume   134.61333561
_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  0.38336368  0.38336368  0.50000000  1.0
  Sc  Sc1  1  0.61663632  0.00000000  0.50000000  1.0
  Sc  Sc2  1  1.00000000  0.61663632  0.50000000  1.0
  B  B3  1  0.00000000  0.00000000  0.50000000  1.0
  As  As4  1  0.66666700  0.33333300  0.00000000  1.0
  As  As5  1  0.33333300  0.66666700  0.00000000  1.0
  Ru  Ru6  1  0.00000000  0.23200268  0.00000000  1.0
  Ru  Ru7  1  0.23200268  1.00000000  0.00000000  1.0
  Ru  Ru8  1  0.76799732  0.76799732  0.00000000  1.0