# generated using pymatgen
data_CaNdRu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26955732
_cell_length_b   7.26955795
_cell_length_c   7.22775201
_cell_angle_alpha   60.19004525
_cell_angle_beta   60.19004239
_cell_angle_gamma   60.64505968
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNdRu2O7
_chemical_formula_sum   'Ca2 Nd2 Ru4 O14'
_cell_volume   272.16392991
_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  0.12500000  0.12500000  0.62500000  1.0
  Ca  Ca1  1  0.12500000  0.12500000  0.12500000  1.0
  Nd  Nd2  1  0.62500000  0.12500000  0.12500000  1.0
  Nd  Nd3  1  0.12500000  0.62500000  0.12500000  1.0
  Ru  Ru4  1  0.12500000  0.62500000  0.62500000  1.0
  Ru  Ru5  1  0.62500000  0.12500000  0.62500000  1.0
  Ru  Ru6  1  0.62500000  0.62500000  0.12500000  1.0
  Ru  Ru7  1  0.62500000  0.62500000  0.62500000  1.0
  O  O8  1  0.70562982  0.70562982  0.29437018  1.0
  O  O9  1  0.30482785  0.30482785  0.69517215  1.0
  O  O10  1  0.69816550  0.30195169  0.69878941  1.0
  O  O11  1  0.30195169  0.69816550  0.30109340  1.0
  O  O12  1  0.30195169  0.69816550  0.69878941  1.0
  O  O13  1  0.69816550  0.30195169  0.30109340  1.0
  O  O14  1  0.54437018  0.54437018  0.95562982  1.0
  O  O15  1  0.94517215  0.94517215  0.55482785  1.0
  O  O16  1  0.55183450  0.94804831  0.55121059  1.0
  O  O17  1  0.94804831  0.55183450  0.94890660  1.0
  O  O18  1  0.94804831  0.55183450  0.55121059  1.0
  O  O19  1  0.55183450  0.94804831  0.94890660  1.0
  O  O20  1  0.24743882  0.24743882  0.25256118  1.0
  O  O21  1  0.00256118  0.00256118  0.99743882  1.0