data_[Sm18As3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9769]
_cell_length_b [9.9769]
_cell_length_c [9.5417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm6AsO12]
_chemical_formula_sum '[Sm18 As3 O36]'
_cell_volume [822.5179]
_cell_formula_units_Z [3]
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  18  0.0524  0.7914  0.6512  1.0
  As  As1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0391  0.8119  0.4046  1.0
  O  O3  18  0.0428  0.8627  0.8934  1.0
]