# generated using pymatgen
data_CaSmRu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24250377
_cell_length_b   7.24250416
_cell_length_c   7.19638648
_cell_angle_alpha   60.21040843
_cell_angle_beta   60.21040668
_cell_angle_gamma   60.61549626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSmRu2O7
_chemical_formula_sum   'Ca2 Sm2 Ru4 O14'
_cell_volume   268.99442790
_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  0.62500000  0.62500000  1.0
  Ca  Ca1  1  0.62500000  0.62500000  0.12500000  1.0
  Sm  Sm2  1  0.12500000  0.62500000  0.62500000  1.0
  Sm  Sm3  1  0.62500000  0.12500000  0.62500000  1.0
  Ru  Ru4  1  0.12500000  0.12500000  0.12500000  1.0
  Ru  Ru5  1  0.62500000  0.12500000  0.12500000  1.0
  Ru  Ru6  1  0.12500000  0.12500000  0.62500000  1.0
  Ru  Ru7  1  0.12500000  0.62500000  0.12500000  1.0
  O  O8  1  0.49916738  0.49916738  0.50083262  1.0
  O  O9  1  0.75083262  0.75083262  0.74916738  1.0
  O  O10  1  0.04322724  0.04322724  0.45677276  1.0
  O  O11  1  0.80379245  0.80379245  0.19620755  1.0
  O  O12  1  0.44912719  0.05219220  0.45022986  1.0
  O  O13  1  0.44912719  0.05219220  0.04845074  1.0
  O  O14  1  0.05219220  0.44912719  0.45022986  1.0
  O  O15  1  0.05219220  0.44912719  0.04845074  1.0
  O  O16  1  0.44620755  0.44620755  0.05379245  1.0
  O  O17  1  0.19780780  0.80087281  0.79977014  1.0
  O  O18  1  0.80087281  0.19780780  0.20154926  1.0
  O  O19  1  0.20677276  0.20677276  0.79322724  1.0
  O  O20  1  0.19780780  0.80087281  0.20154926  1.0
  O  O21  1  0.80087281  0.19780780  0.79977014  1.0