data_[La8Nd4Tm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.4873]
_cell_length_b [13.1468]
_cell_length_c [6.4638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2NdTm3]
_chemical_formula_sum '[La8 Nd4 Tm12]'
_cell_volume [806.2193]
_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  8  0.1701  0.4383  0.9251  1
  Nd  Nd1  4  0.0000  0.1671  0.7071  1
  Tm  Tm2  8  0.1809  0.3065  0.4001  1
  Tm  Tm3  4  0.0000  0.0903  0.1845  1
]