# generated using pymatgen
data_Ca2MgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53461244
_cell_length_b   5.37680248
_cell_length_c   9.34697092
_cell_angle_alpha   54.93743003
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MgRuO6
_chemical_formula_sum   'Ca4 Mg2 Ru2 O12'
_cell_volume   227.67441715
_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  0.94575661  0.76462175  0.24826202  1.0
  Ca  Ca1  1  0.44575661  0.23537825  0.25173798  1.0
  Ca  Ca2  1  0.55424339  0.76462175  0.74826202  1.0
  Ca  Ca3  1  0.05424339  0.23537825  0.75173798  1.0
  Mg  Mg4  1  0.50000000  0.00000000  0.00000000  1.0
  Mg  Mg5  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru6  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.69712031  0.83201772  0.45577447  1.0
  O  O9  1  0.19712031  0.16798228  0.04422553  1.0
  O  O10  1  0.30287969  0.16798228  0.54422553  1.0
  O  O11  1  0.80287969  0.83201772  0.95577447  1.0
  O  O12  1  0.78469652  0.26070404  0.54681580  1.0
  O  O13  1  0.28469652  0.73929596  0.95318420  1.0
  O  O14  1  0.21530348  0.73929596  0.45318420  1.0
  O  O15  1  0.71530348  0.26070404  0.04681580  1.0
  O  O16  1  0.52366705  0.65531656  0.25834899  1.0
  O  O17  1  0.02366705  0.34468344  0.24165101  1.0
  O  O18  1  0.47633295  0.34468344  0.74165101  1.0
  O  O19  1  0.97633295  0.65531656  0.75834899  1.0