data_[Ce1Nd1Tm1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5333]
_cell_length_b [3.5333]
_cell_length_c [8.7080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CeNdTm]
_chemical_formula_sum '[Ce1 Nd1 Tm1]'
_cell_volume [94.1472]
_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
[
  Ce  Ce0  1  0.6667  0.3333  0.3381  1.0
  Nd  Nd1  1  0.3333  0.6667  0.0018  1.0
  Tm  Tm2  1  0.0000  0.0000  0.6601  1.0
]