data_[Nd1Ho4Al5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5897]
_cell_length_b [3.5897]
_cell_length_c [18.2899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NdHo4Al5]
_chemical_formula_sum '[Nd1 Ho4 Al5]'
_cell_volume [235.6794]
_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  1  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.2060  1.0
  Ho  Ho2  2  0.0000  0.0000  0.4021  1.0
  Al  Al3  2  0.5000  0.5000  0.1092  1.0
  Al  Al4  2  0.5000  0.5000  0.3044  1.0
  Al  Al5  1  0.5000  0.5000  0.5000  1.0
]