data_[Li6Y4Tm2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0143]
_cell_length_b [12.1496]
_cell_length_c [6.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Y2TmSe6]
_chemical_formula_sum '[Li6 Y4 Tm2 Se12]'
_cell_volume [552.8659]
_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  0.1667  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  4  0.0000  0.3334  0.0000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2491  0.1649  0.2528  1.0
  Se  Se5  4  0.2457  0.0000  0.7478  1.0
]