data_[Nd10Cu2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.8076]
_cell_length_b [8.8076]
_cell_length_c [9.0871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd5CuSe8]
_chemical_formula_sum '[Nd10 Cu2 Se16]'
_cell_volume [704.9242]
_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  8  0.1285  0.7487  0.6324  1.0
  Nd  Nd1  2  0.0000  0.5000  0.2500  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.0644  0.6947  0.9569  1.0
  Se  Se4  8  0.0783  0.8180  0.3170  1.0
]