data_[Er24Hg9C3S9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5712]
_cell_length_b [7.5712]
_cell_length_c [22.4976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er8Hg3CS3]
_chemical_formula_sum '[Er24 Hg9 C3 S9]'
_cell_volume [1116.8559]
_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
[
  Er  Er0  18  0.0322  0.5161  0.7326  1.0
  Er  Er1  6  0.0000  0.0000  0.2636  1.0
  Hg  Hg2  9  0.0000  0.5000  0.5000  1.0
  C  C3  3  0.0000  0.0000  0.0000  1.0
  S  S4  9  0.0000  0.5000  0.0000  1.0
]