data_[Li4Sm6Tm2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  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 [7.0583]
_cell_length_b [12.2253]
_cell_length_c [7.0764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Sm3TmSe6]
_chemical_formula_sum '[Li4 Sm6 Tm2 Se12]'
_cell_volume [576.5996]
_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  0.3330  0.0000  1.0
  Sm  Sm1  4  0.0000  0.1676  0.5000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2458  0.1676  0.2340  1.0
  Se  Se5  4  0.2439  0.5000  0.2358  1.0
]