# generated using pymatgen
data_Ba2Si2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20545651
_cell_length_b   4.20545651
_cell_length_c   9.71028044
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Si2IrRu
_chemical_formula_sum   'Ba2 Si2 Ir1 Ru1'
_cell_volume   171.73470410
_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
  Ba  Ba0  1  0.00000000  0.50000100  0.28854841  1.0
  Ba  Ba1  1  0.50000100  0.00000000  0.71145059  1.0
  Si  Si2  1  0.50000100  0.00000000  0.11482588  1.0
  Si  Si3  1  0.00000000  0.50000100  0.88517412  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru5  1  0.50000100  0.50000100  0.00000000  1.0