data_[La1Sm4Tm5]
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 [P-1]
_cell_length_a [3.5571]
_cell_length_b [6.7318]
_cell_length_c [14.1920]
_cell_angle_alpha [98.5235]
_cell_angle_beta [92.9553]
_cell_angle_gamma [103.8684]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaSm4Tm5]
_chemical_formula_sum '[La1 Sm4 Tm5]'
_cell_volume [324.9416]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.0000  1
  Sm  Sm1  2  0.3189  0.2786  0.1975  1
  Sm  Sm2  2  0.3773  0.1914  0.7792  1
  Tm  Tm3  2  0.0122  0.5739  0.3908  1
  Tm  Tm4  2  0.2968  0.1204  0.4187  1
  Tm  Tm5  1  0.0000  0.5000  0.0000  1
]