data_[Tm24Ga3Ge9Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0821]
_cell_length_b [8.0821]
_cell_length_c [20.3588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm8GaGe3Se4]
_chemical_formula_sum '[Tm24 Ga3 Ge9 Se12]'
_cell_volume [1151.6692]
_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  0.0027  0.5013  0.2529  1
  Tm  Tm1  6  0.0000  0.0000  0.2555  1
  Ga  Ga2  3  -0.0000  -0.0000  0.0000  1
  Ge  Ge3  9  0.0000  0.5000  0.0000  1
  Se  Se4  9  0.0000  0.5000  0.5000  1
  Se  Se5  3  -0.0000  -0.0000  0.5000  1
]