# generated using pymatgen
data_Ca6URuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62090611
_cell_length_b   6.62090531
_cell_length_c   6.62090672
_cell_angle_alpha   92.97085737
_cell_angle_beta   92.97084751
_cell_angle_gamma   92.97084568
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6URuO12
_chemical_formula_sum   'Ca6 U1 Ru1 O12'
_cell_volume   289.02430714
_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  0.92711036  0.43375447  0.73718396  1.0
  Ca  Ca1  1  0.73718396  0.92711036  0.43375447  1.0
  Ca  Ca2  1  0.56624553  0.26281604  0.07288964  1.0
  Ca  Ca3  1  0.43375447  0.73718396  0.92711036  1.0
  Ca  Ca4  1  0.26281604  0.07288964  0.56624553  1.0
  Ca  Ca5  1  0.07288964  0.56624553  0.26281604  1.0
  U  U6  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.92821508  0.29801391  0.06510320  1.0
  O  O9  1  0.93489680  0.07178492  0.70198609  1.0
  O  O10  1  0.77850267  0.57836511  0.45400305  1.0
  O  O11  1  0.70198609  0.93489680  0.07178492  1.0
  O  O12  1  0.57836511  0.45400305  0.77850267  1.0
  O  O13  1  0.54599695  0.22149733  0.42163489  1.0
  O  O14  1  0.45400305  0.77850267  0.57836511  1.0
  O  O15  1  0.42163489  0.54599695  0.22149733  1.0
  O  O16  1  0.29801391  0.06510320  0.92821508  1.0
  O  O17  1  0.22149733  0.42163489  0.54599695  1.0
  O  O18  1  0.06510320  0.92821508  0.29801391  1.0
  O  O19  1  0.07178492  0.70198609  0.93489680  1.0