data_[Nd3Ho6Er3S18]
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
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9563]
_cell_length_b [6.9563]
_cell_length_c [18.5494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdHo2ErS6]
_chemical_formula_sum '[Nd3 Ho6 Er3 S18]'
_cell_volume [777.3455]
_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
[
  Nd  Nd0  3  0.0000  0.0000  0.8102  1.0
  Ho  Ho1  3  0.0000  0.0000  0.0140  1.0
  Ho  Ho2  3  0.0000  0.0000  0.5177  1.0
  Er  Er3  3  0.0000  0.0000  0.3164  1.0
  S  S4  9  0.0298  0.3616  0.5843  1.0
  S  S5  9  0.0503  0.6864  0.0834  1.0
]