data_[Ce3Nd6Ho3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [R3]
_cell_length_a [7.1239]
_cell_length_b [7.1239]
_cell_length_c [18.7979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CeNd2HoS6]
_chemical_formula_sum '[Ce3 Nd6 Ho3 S18]'
_cell_volume [826.1803]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  3  0.0000  0.0000  0.1866  1.0
  Nd  Nd1  3  0.0000  0.0000  0.4779  1.0
  Nd  Nd2  3  0.0000  0.0000  0.9805  1.0
  Ho  Ho3  3  0.0000  0.0000  0.6833  1.0
  S  S4  9  0.0410  0.3564  0.7511  1.0
  S  S5  9  0.0442  0.6706  0.2523  1.0
]