data_[Tm8Ga8Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5272]
_cell_length_b [11.2554]
_cell_length_c [7.2033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmGaSe3]
_chemical_formula_sum '[Tm8 Ga8 Se24]'
_cell_volume [1052.1099]
_cell_formula_units_Z [8]
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  4  0.0000  0.0921  0.7500  1.0
  Tm  Tm1  4  0.0000  0.3233  0.2500  1.0
  Ga  Ga2  8  0.2059  0.4017  0.7521  1.0
  Se  Se3  8  0.1073  0.1108  0.1437  1.0
  Se  Se4  8  0.1180  0.4583  0.9935  1.0
  Se  Se5  8  0.1345  0.2214  0.5995  1.0
]