# generated using pymatgen
data_CaTbRu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20452114
_cell_length_b   7.20452124
_cell_length_c   7.25834060
_cell_angle_alpha   59.75257340
_cell_angle_beta   59.75257297
_cell_angle_gamma   59.45166772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTbRu2O7
_chemical_formula_sum   'Ca2 Tb2 Ru4 O14'
_cell_volume   264.28929790
_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  0.62500000  0.12500000  0.62500000  1.0
  Ca  Ca1  1  0.12500000  0.62500000  0.62500000  1.0
  Tb  Tb2  1  0.62500000  0.62500000  0.12500000  1.0
  Tb  Tb3  1  0.62500000  0.62500000  0.62500000  1.0
  Ru  Ru4  1  0.12500000  0.12500000  0.62500000  1.0
  Ru  Ru5  1  0.12500000  0.62500000  0.12500000  1.0
  Ru  Ru6  1  0.62500000  0.12500000  0.12500000  1.0
  Ru  Ru7  1  0.12500000  0.12500000  0.12500000  1.0
  O  O8  1  0.74449204  0.74449204  0.75550796  1.0
  O  O9  1  0.50550796  0.50550796  0.49449204  1.0
  O  O10  1  0.04529465  0.45159215  0.05233980  1.0
  O  O11  1  0.79840785  0.20470535  0.79922660  1.0
  O  O12  1  0.05187442  0.05187442  0.44812558  1.0
  O  O13  1  0.45159215  0.04529465  0.05233980  1.0
  O  O14  1  0.04529465  0.45159215  0.45077340  1.0
  O  O15  1  0.45905431  0.45905431  0.04094569  1.0
  O  O16  1  0.45159215  0.04529465  0.45077340  1.0
  O  O17  1  0.20470535  0.79840785  0.79922660  1.0
  O  O18  1  0.79840785  0.20470535  0.19766020  1.0
  O  O19  1  0.20470535  0.79840785  0.19766020  1.0
  O  O20  1  0.79094569  0.79094569  0.20905431  1.0
  O  O21  1  0.19812558  0.19812558  0.80187442  1.0