# generated using pymatgen
data_Ca5Nd(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83177771
_cell_length_b   5.54363841
_cell_length_c   9.70804757
_cell_angle_alpha   55.28774963
_cell_angle_beta   89.36774156
_cell_angle_gamma   89.50360187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Nd(RuO6)2
_chemical_formula_sum   'Ca5 Nd1 Ru2 O12'
_cell_volume   257.97824977
_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  0.56087000  0.76268205  0.25259539  1.0
  Ca  Ca1  1  0.93810424  0.76822654  0.75374750  1.0
  Ca  Ca2  1  0.06242745  0.23286247  0.24545110  1.0
  Ca  Ca3  1  0.99771970  0.50403036  0.49510857  1.0
  Ca  Ca4  1  0.50194108  0.49499936  0.00511290  1.0
  Nd  Nd5  1  0.43568034  0.23665691  0.74769820  1.0
  Ru  Ru6  1  0.99862371  0.99878932  0.00177497  1.0
  Ru  Ru7  1  0.50123867  0.00134231  0.49765855  1.0
  O  O8  1  0.71865038  0.89653232  0.93372253  1.0
  O  O9  1  0.28174807  0.10521228  0.06115313  1.0
  O  O10  1  0.22737451  0.10216013  0.57308856  1.0
  O  O11  1  0.77622305  0.90191585  0.42956162  1.0
  O  O12  1  0.04144587  0.34420282  0.77106069  1.0
  O  O13  1  0.95184685  0.65636228  0.22407378  1.0
  O  O14  1  0.55031082  0.65951949  0.72929275  1.0
  O  O15  1  0.44529824  0.33744807  0.27609987  1.0
  O  O16  1  0.18362714  0.78154472  0.94013201  1.0
  O  O17  1  0.82235690  0.22525972  0.05672541  1.0
  O  O18  1  0.67925315  0.23334534  0.55210922  1.0
  O  O19  1  0.32526183  0.75690866  0.45383524  1.0