data_[La4Sm8Tm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8226]
_cell_length_b [3.5104]
_cell_length_c [14.2532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaSm2Tm3]
_chemical_formula_sum '[La4 Sm8 Tm12]'
_cell_volume [792.5250]
_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
[
  La  La0  4  0.0612  0.5000  0.6460  1
  Sm  Sm1  4  0.1563  0.5000  0.4668  1
  Sm  Sm2  4  0.1821  0.0000  0.8845  1
  Tm  Tm3  4  0.0403  0.0000  0.2047  1
  Tm  Tm4  4  0.0992  0.5000  0.0267  1
  Tm  Tm5  4  0.2360  0.5000  0.2930  1
]