data_[Tb3Nd12Er3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2537]
_cell_length_b [8.2537]
_cell_length_c [20.1543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbNd4ErS8]
_chemical_formula_sum '[Tb3 Nd12 Er3 S24]'
_cell_volume [1189.0414]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.0013  1
  Nd  Nd1  9  0.1687  0.3375  0.8330  1
  Nd  Nd2  3  0.0000  0.0000  0.6243  1
  Er  Er3  3  0.0000  0.0000  0.3756  1
  S  S4  9  0.0136  0.5068  0.7483  1
  S  S5  9  0.1806  0.3612  0.5831  1
  S  S6  3  0.0000  0.0000  0.2479  1
  S  S7  3  0.0000  0.0000  0.7576  1
]