data_[Ce4Tm4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.3980]
_cell_length_b [7.9156]
_cell_length_c [9.0898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeTmSe3]
_chemical_formula_sum '[Ce4 Tm4 Se12]'
_cell_volume [605.9606]
_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
[
  Ce  Ce0  4  0.1088  0.7209  0.0469  1
  Tm  Tm1  4  0.3076  0.1299  0.9120  1
  Se  Se2  4  0.0063  0.5104  0.7066  1
  Se  Se3  4  0.2425  0.1356  0.5953  1
  Se  Se4  4  0.3695  0.7098  0.4427  1
]