data_[Ho12Er3Tl3S24]
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
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1790]
_cell_length_b [8.1790]
_cell_length_c [19.9773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ho4ErTlS8]
_chemical_formula_sum '[Ho12 Er3 Tl3 S24]'
_cell_volume [1157.3584]
_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  0.1722  0.3445  0.8319  1.0
  Ho  Ho1  3  0.0000  0.0000  0.6249  1.0
  Er  Er2  3  0.0000  0.0000  0.0041  1.0
  Tl  Tl3  3  0.0000  0.0000  0.3754  1.0
  S  S4  9  0.0452  0.5226  0.7552  1.0
  S  S5  9  0.1769  0.3538  0.5811  1.0
  S  S6  3  0.0000  0.0000  0.2335  1.0
  S  S7  3  0.0000  0.0000  0.7575  1.0
]