data_[Nd4Mn4Al16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1819]
_cell_length_b [16.1604]
_cell_length_c [6.6208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdMnAl4]
_chemical_formula_sum '[Nd4 Mn4 Al16]'
_cell_volume [447.4414]
_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  0.3845  0.7500  1.0
  Mn  Mn1  4  0.0000  0.2713  0.2500  1.0
  Al  Al2  8  0.0000  0.1824  0.5542  1.0
  Al  Al3  4  0.0000  0.0000  0.0000  1.0
  Al  Al4  4  0.0000  0.4215  0.2500  1.0
]