data_[Nd4Ho1Mg5]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8584]
_cell_length_b [3.8584]
_cell_length_c [19.3903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nd4HoMg5]
_chemical_formula_sum '[Nd4 Ho1 Mg5]'
_cell_volume [288.6735]
_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  2  0.0000  0.0000  0.1957  1
  Nd  Nd1  2  0.0000  0.0000  0.3984  1
  Ho  Ho2  1  0.0000  0.0000  0.0000  1
  Mg  Mg3  2  0.5000  0.5000  0.0938  1
  Mg  Mg4  2  0.5000  0.5000  0.2973  1
  Mg  Mg5  1  0.5000  0.5000  0.5000  1
]