# generated using pymatgen
data_CaCu3(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49460336
_cell_length_b   6.49460336
_cell_length_c   6.49460336
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu3(RuO3)4
_chemical_formula_sum   'Ca1 Cu3 Ru4 O12'
_cell_volume   210.88029892
_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  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru4  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru5  1  0.50000000  0.00000000  0.00000000  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  0.69363000  0.82771300  0.52134300  1.0
  O  O9  1  0.69363000  0.17228700  0.86591600  1.0
  O  O10  1  0.30637000  0.82771300  0.13408400  1.0
  O  O11  1  0.30637000  0.17228700  0.47865700  1.0
  O  O12  1  0.82771300  0.52134300  0.69363000  1.0
  O  O13  1  0.17228700  0.86591600  0.69363000  1.0
  O  O14  1  0.82771300  0.13408400  0.30637000  1.0
  O  O15  1  0.17228700  0.47865700  0.30637000  1.0
  O  O16  1  0.52134300  0.69363000  0.82771300  1.0
  O  O17  1  0.86591600  0.69363000  0.17228700  1.0
  O  O18  1  0.13408400  0.30637000  0.82771300  1.0
  O  O19  1  0.47865700  0.30637000  0.17228700  1.0