data_[Nd2Y2As4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.1146]
_cell_length_b [5.1146]
_cell_length_c [11.5620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [NdY(AsO4)2]
_chemical_formula_sum '[Nd2 Y2 As4 O16]'
_cell_volume [302.4472]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.7500  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  As  As2  2  0.0000  0.0000  0.5000  1.0
  As  As3  2  0.0000  0.5000  0.2500  1.0
  O  O4  8  0.1385  0.7502  0.1701  1.0
  O  O5  8  0.1485  0.2498  0.5766  1.0
]