data_[Nd12Si4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4749]
_cell_length_b [7.8676]
_cell_length_c [11.3039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Si2O]
_chemical_formula_sum '[Nd12 Si4 O2]'
_cell_volume [481.6659]
_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  4  0.1114  0.1640  0.4463  1.0
  Nd  Nd1  4  0.3022  0.7063  0.4420  1.0
  Nd  Nd2  4  0.3690  0.0349  0.2438  1.0
  Si  Si3  4  0.1957  0.1135  0.7554  1.0
  O  O4  2  0.5000  0.0000  0.5000  1.0
]