# generated using pymatgen
data_ScZn4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98413336
_cell_length_b   4.98413263
_cell_length_c   8.01392493
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn4Ru
_chemical_formula_sum   'Sc2 Zn8 Ru2'
_cell_volume   172.40710267
_cell_formula_units_Z   2
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  0.66666700  0.33333300  0.43218184  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.93218184  1.0
  Zn  Zn2  1  0.00000000  0.00000000  0.00283600  1.0
  Zn  Zn3  1  0.00000000  0.00000000  0.50283600  1.0
  Zn  Zn4  1  0.17159937  0.34319675  0.24995107  1.0
  Zn  Zn5  1  0.82840063  0.17159937  0.74995107  1.0
  Zn  Zn6  1  0.34319675  0.17159937  0.74995107  1.0
  Zn  Zn7  1  0.65680325  0.82840063  0.24995107  1.0
  Zn  Zn8  1  0.17159937  0.82840063  0.24995107  1.0
  Zn  Zn9  1  0.82840063  0.65680325  0.74995107  1.0
  Ru  Ru10  1  0.33333300  0.66666700  0.56512895  1.0
  Ru  Ru11  1  0.66666700  0.33333300  0.06512895  1.0