# generated using pymatgen
data_Ca3RuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79631071
_cell_length_b   5.52616801
_cell_length_c   9.65062680
_cell_angle_alpha   55.36515295
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3RuO6
_chemical_formula_sum   'Ca6 Ru2 O12'
_cell_volume   254.34354483
_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  0.43715959  0.23339764  0.74716221  1.0
  Ca  Ca1  1  0.56284041  0.76660236  0.25283779  1.0
  Ca  Ca2  1  0.93715959  0.76660236  0.75283779  1.0
  Ca  Ca3  1  0.06284041  0.23339764  0.24716221  1.0
  Ca  Ca4  1  0.00000000  0.50000000  0.50000000  1.0
  Ca  Ca5  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru6  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.72375947  0.90052521  0.93133156  1.0
  O  O9  1  0.27624053  0.09947479  0.06866844  1.0
  O  O10  1  0.22375947  0.09947479  0.56866844  1.0
  O  O11  1  0.77624053  0.90052521  0.43133156  1.0
  O  O12  1  0.04775216  0.34016222  0.77528095  1.0
  O  O13  1  0.95224784  0.65983778  0.22471905  1.0
  O  O14  1  0.54775216  0.65983778  0.72471905  1.0
  O  O15  1  0.45224784  0.34016222  0.27528095  1.0
  O  O16  1  0.17907774  0.77462899  0.94423524  1.0
  O  O17  1  0.82092226  0.22537101  0.05576476  1.0
  O  O18  1  0.67907774  0.22537101  0.55576476  1.0
  O  O19  1  0.32092226  0.77462899  0.44423524  1.0