data_[Tm27Sb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9000]
_cell_length_b [8.9000]
_cell_length_c [18.1560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm3Sb2]
_chemical_formula_sum '[Tm27 Sb18]'
_cell_volume [1245.4583]
_cell_formula_units_Z [9]
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
[
  Tm  Tm0  18  0.0027  0.2503  0.4161  1.0
  Tm  Tm1  6  0.0000  0.0000  0.1835  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  18  0.0102  0.3957  0.5818  1.0
]