data_[Cs12Sm4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0225]
_cell_length_b [13.1592]
_cell_length_c [7.8258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3SmO3]
_chemical_formula_sum '[Cs12 Sm4 O12]'
_cell_volume [813.0957]
_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
[
  Cs  Cs0  4  0.0000  0.2175  0.5000  1.0
  Cs  Cs1  4  0.0000  0.2616  0.0000  1.0
  Cs  Cs2  4  0.1462  0.5000  0.3532  1.0
  Sm  Sm3  4  0.1757  0.0000  0.1531  1.0
  O  O4  8  0.1921  0.3633  0.7337  1.0
  O  O5  4  0.1077  0.0000  0.8599  1.0
]