data_[Nd4Se4Br4O16]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4816]
_cell_length_b [7.3571]
_cell_length_c [6.9099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSeBrO4]
_chemical_formula_sum '[Nd4 Se4 Br4 O16]'
_cell_volume [516.8005]
_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  0.2313  0.0000  0.1361  1.0
  Se  Se1  4  0.1356  0.5000  0.2638  1.0
  Br  Br2  4  0.0213  0.0000  0.7565  1.0
  O  O3  8  0.1869  0.3254  0.1400  1.0
  O  O4  4  0.0250  0.5000  0.7669  1.0
  O  O5  4  0.2138  0.5000  0.5016  1.0
]