data_[Ho4Er8S18]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3c1]
_cell_length_a [6.8518]
_cell_length_b [6.8518]
_cell_length_c [18.4123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [165]
_chemical_formula_structural [Ho2Er4S9]
_chemical_formula_sum '[Ho4 Er8 S18]'
_cell_volume [748.6001]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1498  1
  Er  Er1  4  0.3333  0.6667  0.4836  1
  Er  Er2  4  0.3333  0.6667  0.6832  1
  S  S3  12  0.0314  0.3664  0.5834  1
  S  S4  6  0.0000  0.3027  0.2500  1
]