data_[Cs3Nd1As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-3m1]
_cell_length_a [6.1684]
_cell_length_b [6.1684]
_cell_length_c [8.7665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Nd(AsO4)2]
_chemical_formula_sum '[Cs3 Nd1 As2 O8]'
_cell_volume [288.8670]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.7525  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Nd  Nd2  1  0.0000  0.0000  0.5000  1
  As  As3  2  0.3333  0.6667  0.2767  1
  O  O4  6  0.1805  0.8195  0.3440  1
  O  O5  2  0.3333  0.6667  0.0832  1
]