data_[Li9Nd3Se12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.7842]
_cell_length_b [10.7842]
_cell_length_c [7.8753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Li3Nd(SeO3)4]
_chemical_formula_sum '[Li9 Nd3 Se12 O36]'
_cell_volume [793.1815]
_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
[
  Li  Li0  9  0.0000  0.5755  0.0000  1
  Nd  Nd1  3  0.0000  0.0000  0.0000  1
  Se  Se2  9  0.0000  0.4012  0.5000  1
  Se  Se3  3  0.0000  0.0000  0.5000  1
  O  O4  18  0.0499  0.1911  0.1958  1
  O  O5  9  0.0000  0.5576  0.5000  1
  O  O6  9  0.0000  0.8476  0.5000  1
]