data_[La3Tm1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7290]
_cell_length_b [6.0208]
_cell_length_c [6.3535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La3Tm]
_chemical_formula_sum '[La3 Tm1]'
_cell_volume [142.6447]
_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  0.0000  0.5000  0.3343  1.0
  La  La1  1  0.5000  0.0000  0.4969  1.0
  La  La2  1  0.5000  0.5000  0.8328  1.0
  Tm  Tm3  1  0.0000  0.0000  0.0026  1.0
]