data_[La6Er3Tm3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [7.1051]
_cell_length_b [7.1051]
_cell_length_c [18.3894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [La2ErTmS6]
_chemical_formula_sum '[La6 Er3 Tm3 S18]'
_cell_volume [803.9737]
_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
[
  La  La0  3  0.0000  0.0000  0.0258  1.0
  La  La1  3  0.0000  0.0000  0.5258  1.0
  Er  Er2  3  0.0000  0.0000  0.8163  1.0
  Tm  Tm3  3  0.0000  0.0000  0.3165  1.0
  S  S4  9  0.0219  0.3913  0.5797  1.0
  S  S5  9  0.0236  0.6318  0.0794  1.0
]