data_[Nd12As4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.2175]
_cell_length_b [11.5581]
_cell_length_c [6.1082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3AsO6]
_chemical_formula_sum '[Nd12 As4 O24]'
_cell_volume [650.7461]
_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
[
  Nd  Nd0  8  0.1963  0.1086  0.5166  1
  Nd  Nd1  4  0.0000  0.4026  0.5538  1
  As  As2  4  0.0000  0.1740  0.9644  1
  O  O3  8  0.1499  0.2523  0.8366  1
  O  O4  8  0.1628  0.4887  0.2875  1
  O  O5  4  0.0000  0.0410  0.7908  1
  O  O6  4  0.0000  0.2203  0.4242  1
]