data_[Tb3Ho6Er3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [6.8792]
_cell_length_b [6.8792]
_cell_length_c [18.4561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbHo2ErS6]
_chemical_formula_sum '[Tb3 Ho6 Er3 S18]'
_cell_volume [756.3964]
_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  0.3148  1.0
  Ho  Ho1  3  0.0000  0.0000  0.0167  1.0
  Ho  Ho2  3  0.0000  0.0000  0.5157  1.0
  Er  Er3  3  0.0000  0.0000  0.8164  1.0
  S  S4  9  0.0010  0.6978  0.4164  1.0
  S  S5  9  0.0361  0.3654  0.5827  1.0
]