data_[Nd8Y4S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8851]
_cell_length_b [13.4129]
_cell_length_c [13.4402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd2YS4]
_chemical_formula_sum '[Nd8 Y4 S16]'
_cell_volume [700.3817]
_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  0.1299  0.0726  1.0
  Y  Y1  4  0.0000  0.3724  0.2500  1.0
  S  S2  8  0.0000  0.2207  0.6254  1.0
  S  S3  4  0.0000  0.0179  0.2500  1.0
  S  S4  4  0.0000  0.5000  0.0000  1.0
]