data_[Rb1Sm2Ru1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4159]
_cell_length_b [5.1887]
_cell_length_c [7.6145]
_cell_angle_alpha [89.6709]
_cell_angle_beta [74.3367]
_cell_angle_gamma [88.6080]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbSm2RuO8]
_chemical_formula_sum '[Rb1 Sm2 Ru1 O8]'
_cell_volume [167.9409]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1
  Sm  Sm1  2  0.3856  0.5161  0.8055  1
  Ru  Ru2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1613  0.3099  0.0979  1
  O  O4  2  0.2223  0.7732  0.1132  1
  O  O5  2  0.3271  0.4992  0.5084  1
  O  O6  2  0.3393  0.9947  0.7836  1
]