data_[Nd4Al4Si4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.5918]
_cell_length_b [8.7947]
_cell_length_c [6.7721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdAlSiO5]
_chemical_formula_sum '[Nd4 Al4 Si4 O20]'
_cell_volume [366.1014]
_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  4  0.0000  0.3291  0.2500  1.0
  Al  Al1  4  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.0000  0.3170  0.7500  1.0
  O  O3  8  0.1033  0.2080  0.6110  1.0
  O  O4  8  0.1796  0.4297  0.9200  1.0
  O  O5  4  0.0000  0.0676  0.2500  1.0
]