data_[Nd8Tm4Al4]
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 [Amm2]
_cell_length_a [5.3697]
_cell_length_b [6.9561]
_cell_length_c [12.1382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd2TmAl]
_chemical_formula_sum '[Nd8 Tm4 Al4]'
_cell_volume [453.3893]
_cell_formula_units_Z [4]
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  0.0000  0.2319  0.4135  1.0
  Nd  Nd1  2  0.0000  0.0000  0.1776  1.0
  Nd  Nd2  2  0.5000  0.0000  0.8241  1.0
  Tm  Tm3  4  0.5000  0.2344  0.5868  1.0
  Al  Al4  2  0.0000  0.0000  0.6622  1.0
  Al  Al5  2  0.5000  0.0000  0.3353  1.0
]