data_[Li6Tm4Al2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2/m]
_cell_length_a [6.8115]
_cell_length_b [11.8051]
_cell_length_c [6.8364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Tm2AlSe6]
_chemical_formula_sum '[Li6 Tm4 Al2 Se12]'
_cell_volume [518.7645]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.0000  0.1615  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.0000  0.3326  0.0000  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2370  0.1558  0.2438  1.0
  Se  Se5  4  0.2311  0.0000  0.7617  1.0
]