data_[Nd8Ho4Al4]
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 [Amm2]
_cell_length_a [5.3894]
_cell_length_b [6.9739]
_cell_length_c [12.1536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd2HoAl]
_chemical_formula_sum '[Nd8 Ho4 Al4]'
_cell_volume [456.7933]
_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  0.2330  0.4129  1.0
  Nd  Nd1  2  0.0000  0.0000  0.1777  1.0
  Nd  Nd2  2  0.5000  0.0000  0.8243  1.0
  Ho  Ho3  4  0.5000  0.2346  0.5873  1.0
  Al  Al4  2  0.0000  0.0000  0.6628  1.0
  Al  Al5  2  0.5000  0.0000  0.3346  1.0
]