data_[Tm24Sb3As9Se12]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1824]
_cell_length_b [8.1824]
_cell_length_c [19.9130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm8SbAs3Se4]
_chemical_formula_sum '[Tm24 Sb3 As9 Se12]'
_cell_volume [1154.5982]
_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
[
  Tm  Tm0  18  0.0118  0.5059  0.7517  1.0
  Tm  Tm1  6  0.0000  0.0000  0.2456  1.0
  Sb  Sb2  3  -0.0000  -0.0000  0.5000  1.0
  As  As3  9  0.0000  0.5000  0.5000  1.0
  Se  Se4  9  0.0000  0.5000  0.0000  1.0
  Se  Se5  3  0.0000  0.0000  0.0000  1.0
]