# generated using pymatgen
data_CaRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35225118
_cell_length_b   5.54761917
_cell_length_c   7.67012603
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRuO3
_chemical_formula_sum   'Ca4 Ru4 O12'
_cell_volume   227.74330919
_cell_formula_units_Z   4
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  0.51531947  0.55895337  0.25000000  1.0
  Ca  Ca1  1  0.98468053  0.05895337  0.25000000  1.0
  Ca  Ca2  1  0.48468053  0.44104663  0.75000000  1.0
  Ca  Ca3  1  0.01531947  0.94104663  0.75000000  1.0
  Ru  Ru4  1  -0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru5  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru6  1  -0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru7  1  0.50000000  0.00000000  0.00000000  1.0
  O  O8  1  0.80174380  0.79732250  0.04735613  1.0
  O  O9  1  0.69825620  0.29732250  0.45264387  1.0
  O  O10  1  0.19825620  0.20267750  0.54735613  1.0
  O  O11  1  0.30174380  0.70267750  0.95264387  1.0
  O  O12  1  0.19825620  0.20267750  0.95264387  1.0
  O  O13  1  0.30174380  0.70267750  0.54735613  1.0
  O  O14  1  0.80174380  0.79732250  0.45264387  1.0
  O  O15  1  0.69825620  0.29732250  0.04735613  1.0
  O  O16  1  0.40587371  0.97385183  0.25000000  1.0
  O  O17  1  0.09412629  0.47385183  0.25000000  1.0
  O  O18  1  0.59412629  0.02614817  0.75000000  1.0
  O  O19  1  0.90587371  0.52614817  0.75000000  1.0