data_[Sm4Y4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.0096]
_cell_length_b [5.8791]
_cell_length_c [8.5086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [SmYO3]
_chemical_formula_sum '[Sm4 Y4 O12]'
_cell_volume [300.6167]
_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
[
  Sm  Sm0  4  0.0339  0.4952  0.9809  1.0
  Y  Y1  4  0.0213  0.9988  0.7131  1.0
  O  O2  4  0.0855  0.1328  0.4537  1.0
  O  O3  4  0.1231  0.6510  0.2518  1.0
  O  O4  4  0.2379  0.7070  0.6122  1.0
]