data_[Tb3Sm6Er3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9972]
_cell_length_b [6.9972]
_cell_length_c [18.6077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbSm2ErS6]
_chemical_formula_sum '[Tb3 Sm6 Er3 S18]'
_cell_volume [788.9936]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.3157  1.0
  Sm  Sm1  3  0.0000  0.0000  0.0203  1.0
  Sm  Sm2  3  0.0000  0.0000  0.5196  1.0
  Er  Er3  3  0.0000  0.0000  0.8169  1.0
  S  S4  9  0.0115  0.3025  0.9145  1.0
  S  S5  9  0.0156  0.7076  0.4151  1.0
]