# generated using pymatgen
data_Ca2Si4IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50973864
_cell_length_b   3.97895082
_cell_length_c   8.25595782
_cell_angle_alpha   90.00000000
_cell_angle_beta   101.62410913
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Si4IrRu
_chemical_formula_sum   'Ca2 Si4 Ir1 Ru1'
_cell_volume   145.10676533
_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
  Ca  Ca0  1  0.92364495  0.25000000  0.30049452  1.0
  Ca  Ca1  1  0.07729853  0.75000000  0.69772752  1.0
  Si  Si2  1  0.83034695  0.75000000  0.00895613  1.0
  Si  Si3  1  0.47298035  0.75000000  0.41218329  1.0
  Si  Si4  1  0.53051890  0.25000000  0.59046162  1.0
  Si  Si5  1  0.16436861  0.25000000  0.98656107  1.0
  Ir  Ir6  1  0.37837107  0.75000000  0.11725220  1.0
  Ru  Ru7  1  0.62246763  0.25000000  0.88636163  1.0