data_[Li4Tm4Cd4Se12]
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
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.7222]
_cell_length_b [4.0548]
_cell_length_c [11.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiTmCdSe3]
_chemical_formula_sum '[Li4 Tm4 Cd4 Se12]'
_cell_volume [637.4943]
_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
[
  Li  Li0  4  0.2113  0.7500  0.2011  1
  Tm  Tm1  4  0.0369  0.2500  0.8548  1
  Cd  Cd2  4  0.0457  0.7500  0.6016  1
  Se  Se3  4  0.0807  0.7500  0.3682  1
  Se  Se4  4  0.0993  0.2500  0.0852  1
  Se  Se5  4  0.1698  0.7500  0.7757  1
]