data_[Ce3Er6Tm3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9207]
_cell_length_b [6.9207]
_cell_length_c [18.4415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CeEr2TmS6]
_chemical_formula_sum '[Ce3 Er6 Tm3 S18]'
_cell_volume [764.9428]
_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
  Er  Er1  3  0.0000  0.0000  0.0136  1.0
  Er  Er2  3  0.0000  0.0000  0.5177  1.0
  Tm  Tm3  3  0.0000  0.0000  0.3169  1.0
  S  S4  9  0.0280  0.3597  0.5845  1.0
  S  S5  9  0.0529  0.6904  0.0833  1.0
]