data_[Sm8Zr4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.8545]
_cell_length_b [6.7427]
_cell_length_c [6.1317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm2ZrO5]
_chemical_formula_sum '[Sm8 Zr4 O20]'
_cell_volume [407.4262]
_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  8  0.1739  0.5017  0.4771  1
  Zr  Zr1  4  0.0056  0.7500  0.9399  1
  O  O2  8  0.0918  0.0269  0.8454  1
  O  O3  4  0.0046  0.7500  0.5617  1
  O  O4  4  0.1838  0.7500  0.1620  1
  O  O5  4  0.2044  0.2500  0.1827  1
]