# generated using pymatgen
data_Ca3(CeRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10067817
_cell_length_b   9.10067811
_cell_length_c   7.27254058
_cell_angle_alpha   84.71319046
_cell_angle_beta   84.71318514
_cell_angle_gamma   43.08935899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(CeRu)2
_chemical_formula_sum   'Ca6 Ce4 Ru4'
_cell_volume   409.44985492
_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  0.35543038  0.22554949  0.81935704  1.0
  Ca  Ca1  1  0.77445051  0.64456962  0.68064296  1.0
  Ca  Ca2  1  0.64456962  0.77445051  0.18064296  1.0
  Ca  Ca3  1  0.22554949  0.35543038  0.31935704  1.0
  Ca  Ca4  1  0.56252644  0.43747356  0.75000000  1.0
  Ca  Ca5  1  0.43747356  0.56252644  0.25000000  1.0
  Ce  Ce6  1  0.98753149  0.83014692  0.89789806  1.0
  Ce  Ce7  1  0.16985308  0.01246851  0.60210194  1.0
  Ce  Ce8  1  0.01246851  0.16985308  0.10210194  1.0
  Ce  Ce9  1  0.83014692  0.98753149  0.39789806  1.0
  Ru  Ru10  1  0.10753267  0.68152409  0.60285213  1.0
  Ru  Ru11  1  0.31847591  0.89246733  0.89714787  1.0
  Ru  Ru12  1  0.89246733  0.31847591  0.39714787  1.0
  Ru  Ru13  1  0.68152409  0.10753267  0.10285213  1.0