# generated using pymatgen
data_CaSm(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28348444
_cell_length_b   7.38875407
_cell_length_c   10.86728629
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm(RuO3)4
_chemical_formula_sum   'Ca2 Sm2 Ru8 O24'
_cell_volume   424.24111192
_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  0.54655583  0.25000000  0.95250054  1.0
  Ca  Ca1  1  0.04655583  0.75000000  0.54749946  1.0
  Sm  Sm2  1  0.45350387  0.75000000  0.04590978  1.0
  Sm  Sm3  1  0.95350387  0.25000000  0.45409022  1.0
  Ru  Ru4  1  0.55555120  0.49934599  0.64020508  1.0
  Ru  Ru5  1  0.05555120  0.50065401  0.85979492  1.0
  Ru  Ru6  1  0.44405939  0.99610627  0.36130696  1.0
  Ru  Ru7  1  0.94405939  0.00389373  0.13869304  1.0
  Ru  Ru8  1  0.05555120  0.99934599  0.85979492  1.0
  Ru  Ru9  1  0.55555120  0.00065401  0.64020508  1.0
  Ru  Ru10  1  0.94405939  0.49610627  0.13869304  1.0
  Ru  Ru11  1  0.44405939  0.50389373  0.36130696  1.0
  O  O12  1  0.67317828  0.25000000  0.62221508  1.0
  O  O13  1  0.17317828  0.75000000  0.87778492  1.0
  O  O14  1  0.32874163  0.75000000  0.37766214  1.0
  O  O15  1  0.82874163  0.25000000  0.12233786  1.0
  O  O16  1  0.44424186  0.75000000  0.64900597  1.0
  O  O17  1  0.94424186  0.25000000  0.85099403  1.0
  O  O18  1  0.55886633  0.25000000  0.35129910  1.0
  O  O19  1  0.05886633  0.75000000  0.14870090  1.0
  O  O20  1  0.11755652  0.43892546  0.28809237  1.0
  O  O21  1  0.61755652  0.56107454  0.21190763  1.0
  O  O22  1  0.87923379  0.94018849  0.71301506  1.0
  O  O23  1  0.37923379  0.05981151  0.78698494  1.0
  O  O24  1  0.77152478  0.95660797  0.97655350  1.0
  O  O25  1  0.27152478  0.04339203  0.52344650  1.0
  O  O26  1  0.22953093  0.45975562  0.02383919  1.0
  O  O27  1  0.72953093  0.54024438  0.47616081  1.0
  O  O28  1  0.22953093  0.04024438  0.02383919  1.0
  O  O29  1  0.72953093  0.95975562  0.47616081  1.0
  O  O30  1  0.77152478  0.54339203  0.97655350  1.0
  O  O31  1  0.27152478  0.45660797  0.52344650  1.0
  O  O32  1  0.61755652  0.93892546  0.21190763  1.0
  O  O33  1  0.11755652  0.06107454  0.28809237  1.0
  O  O34  1  0.37923379  0.44018849  0.78698494  1.0
  O  O35  1  0.87923379  0.55981151  0.71301506  1.0