data_[La2Nd10Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.9570]
_cell_length_b [8.9570]
_cell_length_c [9.0231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LaNd5Se8]
_chemical_formula_sum '[La2 Nd10 Se16]'
_cell_volume [723.9083]
_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
[
  La  La0  2  0.0000  0.5000  0.7500  1.0
  Nd  Nd1  8  0.1161  0.2496  0.1250  1.0
  Nd  Nd2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.0741  0.3226  0.4481  1.0
  Se  Se4  8  0.0760  0.1753  0.8007  1.0
]