# generated using pymatgen
data_LiCa3RuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47996068
_cell_length_b   6.47996068
_cell_length_c   6.47996090
_cell_angle_alpha   91.94370985
_cell_angle_beta   91.94370985
_cell_angle_gamma   91.94371286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa3RuO6
_chemical_formula_sum   'Li2 Ca6 Ru2 O12'
_cell_volume   271.61228062
_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
  Li  Li0  1  0.25000000  0.25000000  0.25000000  1
  Li  Li1  1  0.75000000  0.75000000  0.75000000  1
  Ca  Ca2  1  0.89459300  0.60540700  0.25000000  1
  Ca  Ca3  1  0.60540700  0.25000000  0.89459300  1
  Ca  Ca4  1  0.75000000  0.10540700  0.39459300  1
  Ca  Ca5  1  0.39459300  0.75000000  0.10540700  1
  Ca  Ca6  1  0.10540700  0.39459300  0.75000000  1
  Ca  Ca7  1  0.25000000  0.89459300  0.60540700  1
  Ru  Ru8  1  0.00000000  0.00000000  0.00000000  1
  Ru  Ru9  1  0.50000000  0.50000000  0.50000000  1
  O  O10  1  0.79154600  0.45009300  0.57706800  1
  O  O11  1  0.92293200  0.04990700  0.70845400  1
  O  O12  1  0.70845400  0.92293200  0.04990700  1
  O  O13  1  0.04990700  0.70845400  0.92293200  1
  O  O14  1  0.57706800  0.79154600  0.45009300  1
  O  O15  1  0.45009300  0.57706800  0.79154600  1
  O  O16  1  0.42293200  0.20845400  0.54990700  1
  O  O17  1  0.54990700  0.42293200  0.20845400  1
  O  O18  1  0.95009300  0.29154600  0.07706800  1
  O  O19  1  0.29154600  0.07706800  0.95009300  1
  O  O20  1  0.07706800  0.95009300  0.29154600  1
  O  O21  1  0.20845400  0.54990700  0.42293200  1
