data_[Nd3Sm4Tm5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [6.2002]
_cell_length_b [7.1618]
_cell_length_c [8.7717]
_cell_angle_alpha [89.9792]
_cell_angle_beta [89.9332]
_cell_angle_gamma [89.8905]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3Sm4Tm5]
_chemical_formula_sum '[Nd3 Sm4 Tm5]'
_cell_volume [389.5021]
_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  2  0.3319  0.2504  0.1672  1
  Nd  Nd1  1  0.5000  0.5000  0.5000  1
  Sm  Sm2  2  0.1683  0.0003  0.8298  1
  Sm  Sm3  2  0.3309  0.7500  0.1676  1
  Tm  Tm4  2  0.0006  0.7494  0.4998  1
  Tm  Tm5  2  0.1650  0.4998  0.8301  1
  Tm  Tm6  1  0.5000  0.0000  0.5000  1
]