data_[Sr4Sm8Nb8O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [24.5981]
_cell_length_b [5.5476]
_cell_length_c [5.5896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrSm2Nb2O9]
_chemical_formula_sum '[Sr4 Sm8 Nb8 O36]'
_cell_volume [762.7555]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.2445  0.6164  1
  Sm  Sm1  8  0.2035  0.2245  0.5250  1
  Nb  Nb2  8  0.0862  0.2501  0.0934  1
  O  O3  8  0.0669  0.0305  0.3573  1
  O  O4  8  0.0934  0.4534  0.7816  1
  O  O5  8  0.1591  0.1566  0.1028  1
  O  O6  8  0.2418  0.4974  0.7806  1
  O  O7  4  0.0000  0.3126  0.0720  1
]