data_[Nd8Y4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0402]
_cell_length_b [13.9195]
_cell_length_c [14.1251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd2YSe4]
_chemical_formula_sum '[Nd8 Y4 Se16]'
_cell_volume [794.3590]
_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  8  0.0000  0.1307  0.0721  1.0
  Y  Y1  4  0.0000  0.3722  0.2500  1.0
  Se  Se2  8  0.0000  0.2201  0.6253  1.0
  Se  Se3  4  0.0000  0.0199  0.2500  1.0
  Se  Se4  4  0.0000  0.5000  0.0000  1.0
]