data_[Nd16Ho4Mg2]
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 [C2/m]
_cell_length_a [18.3542]
_cell_length_b [5.1349]
_cell_length_c [8.1262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ho2Mg]
_chemical_formula_sum '[Nd16 Ho4 Mg2]'
_cell_volume [738.6967]
_cell_formula_units_Z [2]
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  0.0453  0.0000  0.7227  1.0
  Nd  Nd1  4  0.0917  0.5000  0.4481  1.0
  Nd  Nd2  4  0.1368  0.0000  0.1842  1.0
  Nd  Nd3  4  0.1819  0.5000  0.9103  1.0
  Ho  Ho4  4  0.2256  0.0000  0.6341  1.0
  Mg  Mg5  2  0.0000  0.5000  0.0000  1.0
]