# generated using pymatgen
data_ZrSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68679911
_cell_length_b   6.68679781
_cell_length_c   3.69115488
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999632
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiRu
_chemical_formula_sum   'Zr3 Si3 Ru3'
_cell_volume   142.93197133
_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
  Zr  Zr0  1  0.41506068  0.41506068  0.50000000  1.0
  Zr  Zr1  1  0.58493932  -0.00000000  0.50000000  1.0
  Zr  Zr2  1  0.00000000  0.58493932  0.50000000  1.0
  Si  Si3  1  -0.00000000  -0.00000000  0.50000000  1.0
  Si  Si4  1  0.66666700  0.33333300  0.00000000  1.0
  Si  Si5  1  0.33333300  0.66666700  -0.00000000  1.0
  Ru  Ru6  1  -0.00000000  0.24428527  0.00000000  1.0
  Ru  Ru7  1  0.24428527  0.00000000  0.00000000  1.0
  Ru  Ru8  1  0.75571473  0.75571473  -0.00000000  1.0