data_[Nd4Se4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4699]
_cell_length_b [7.4899]
_cell_length_c [6.7440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NdSeO4]
_chemical_formula_sum '[Nd4 Se4 O16]'
_cell_volume [403.8860]
_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  2  0.2284  0.0000  0.1156  1
  Nd  Nd1  2  0.2294  0.5000  0.8261  1
  Se  Se2  2  0.2462  0.0000  0.6292  1
  Se  Se3  2  0.2737  0.5000  0.3495  1
  O  O4  4  0.2263  0.3274  0.1463  1
  O  O5  4  0.2487  0.1709  0.7924  1
  O  O6  2  0.0845  0.0000  0.3528  1
  O  O7  2  0.1089  0.5000  0.3914  1
  O  O8  2  0.4087  0.0000  0.5934  1
  O  O9  2  0.4682  0.5000  0.8632  1
]