data_[Ce3Ho3Er6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [6.9721]
_cell_length_b [6.9721]
_cell_length_c [18.5430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CeHo(ErS3)2]
_chemical_formula_sum '[Ce3 Ho3 Er6 S18]'
_cell_volume [780.6141]
_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
[
  Ce  Ce0  3  0.0000  0.0000  0.8100  1.0
  Ho  Ho1  3  0.0000  0.0000  0.3158  1.0
  Er  Er2  3  0.0000  0.0000  0.0139  1.0
  Er  Er3  3  0.0000  0.0000  0.5173  1.0
  S  S4  9  0.0316  0.3594  0.5846  1.0
  S  S5  9  0.0528  0.6914  0.0837  1.0
]