# generated using pymatgen
data_Ca2OsRuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01674818
_cell_length_b   5.19596508
_cell_length_c   12.39209468
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2OsRuO8
_chemical_formula_sum   'Ca4 Os2 Ru2 O16'
_cell_volume   323.02285297
_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
  Ca  Ca0  1  0.75000000  0.00000000  0.65856801  1.0
  Ca  Ca1  1  0.25000000  0.50000000  0.84143199  1.0
  Ca  Ca2  1  0.25000000  0.00000000  0.33764627  1.0
  Ca  Ca3  1  0.75000000  0.50000000  0.16235373  1.0
  Os  Os4  1  0.25000000  0.50000000  0.57631194  1.0
  Os  Os5  1  0.75000000  0.00000000  0.92368806  1.0
  Ru  Ru6  1  0.75000000  0.50000000  0.42260668  1.0
  Ru  Ru7  1  0.25000000  0.00000000  0.07739332  1.0
  O  O8  1  0.12120389  0.28098745  0.68018393  1.0
  O  O9  1  0.62120389  0.21901255  0.81981607  1.0
  O  O10  1  0.87879611  0.78098745  0.81981607  1.0
  O  O11  1  0.37879611  0.71901255  0.68018393  1.0
  O  O12  1  0.88494366  0.71902970  0.32280286  1.0
  O  O13  1  0.38494366  0.78097030  0.17719714  1.0
  O  O14  1  0.11505634  0.21902970  0.17719714  1.0
  O  O15  1  0.61505634  0.28097030  0.32280286  1.0
  O  O16  1  0.54811069  0.30019004  0.54650130  1.0
  O  O17  1  0.04811069  0.19980996  0.95349870  1.0
  O  O18  1  0.45188931  0.80019004  0.95349870  1.0
  O  O19  1  0.95188931  0.69980996  0.54650130  1.0
  O  O20  1  0.43995832  0.70435427  0.45931531  1.0
  O  O21  1  0.93995832  0.79564573  0.04068469  1.0
  O  O22  1  0.56004168  0.20435427  0.04068469  1.0
  O  O23  1  0.06004168  0.29564573  0.45931531  1.0