data_[Y3Ho3Er6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [6.8716]
_cell_length_b [6.8716]
_cell_length_c [18.4545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [YHo(ErS3)2]
_chemical_formula_sum '[Y3 Ho3 Er6 S18]'
_cell_volume [754.6584]
_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
[
  Y  Y0  3  0.0000  0.0000  0.1846  1.0
  Ho  Ho1  3  0.0000  0.0000  0.6841  1.0
  Er  Er2  3  0.0000  0.0000  0.4840  1.0
  Er  Er3  3  0.0000  0.0000  0.9844  1.0
  S  S4  9  0.0030  0.3032  0.0833  1.0
  S  S5  9  0.0056  0.7031  0.5836  1.0
]