data_[Ho12Er3Cu3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9963]
_cell_length_b [7.9963]
_cell_length_c [19.5594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ho4ErCuS8]
_chemical_formula_sum '[Ho12 Er3 Cu3 S24]'
_cell_volume [1083.0826]
_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
[
  Ho  Ho0  9  0.1730  0.3461  0.8317  1.0
  Ho  Ho1  3  0.0000  0.0000  0.6249  1.0
  Er  Er2  3  0.0000  0.0000  0.0049  1.0
  Cu  Cu3  3  0.0000  0.0000  0.3741  1.0
  S  S4  9  0.0067  0.5034  0.7506  1.0
  S  S5  9  0.1790  0.3580  0.5808  1.0
  S  S6  3  0.0000  0.0000  0.2478  1.0
  S  S7  3  0.0000  0.0000  0.7589  1.0
]