data_[Nd3Tm1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6574]
_cell_length_b [5.9090]
_cell_length_c [6.3381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd3Tm]
_chemical_formula_sum '[Nd3 Tm1]'
_cell_volume [136.9766]
_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
[
  Nd  Nd0  1  0.0000  0.5000  0.3334  1.0
  Nd  Nd1  1  0.5000  0.0000  0.4985  1.0
  Nd  Nd2  1  0.5000  0.5000  0.8335  1.0
  Tm  Tm3  1  0.0000  0.0000  0.0011  1.0
]