data_[Tm4Al4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [3.9937]
_cell_length_b [23.4785]
_cell_length_c [6.6044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [TmAlSe3]
_chemical_formula_sum '[Tm4 Al4 Se12]'
_cell_volume [619.2715]
_cell_formula_units_Z [4]
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  0.2500  0.3252  0.7238  1.0
  Al  Al1  4  0.2500  0.1287  0.6514  1.0
  Se  Se2  4  0.2500  0.1201  0.0091  1.0
  Se  Se3  4  0.2500  0.2222  0.4867  1.0
  Se  Se4  4  0.2500  0.4173  0.0081  1.0
]