data_[Nd4Tm4Al6]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1978]
_cell_length_b [3.4770]
_cell_length_c [8.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Tm2Al3]
_chemical_formula_sum '[Nd4 Tm4 Al6]'
_cell_volume [387.7061]
_cell_formula_units_Z [2]
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  4  0.1065  0.5000  0.3828  1
  Tm  Tm1  4  0.1342  0.0000  0.8107  1
  Al  Al2  4  0.2122  0.0000  0.2156  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
]