data_[Nd4Ho8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9243]
_cell_length_b [3.8724]
_cell_length_c [14.1204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd(HoS2)2]
_chemical_formula_sum '[Nd4 Ho8 S16]'
_cell_volume [652.0207]
_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  0.2472  0.7500  0.3318  1
  Ho  Ho1  4  0.0628  0.7500  0.1118  1
  Ho  Ho2  4  0.0923  0.7500  0.5948  1
  S  S3  4  0.0383  0.2500  0.7170  1
  S  S4  4  0.0959  0.7500  0.9222  1
  S  S5  4  0.1301  0.2500  0.4607  1
  S  S6  4  0.2009  0.2500  0.1816  1
]