data_[Nd12Ho6Mg2]
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 [Pnnm]
_cell_length_a [10.5008]
_cell_length_b [11.9630]
_cell_length_c [5.3491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Nd6Ho3Mg]
_chemical_formula_sum '[Nd12 Ho6 Mg2]'
_cell_volume [671.9577]
_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  0.0682  0.2497  0.0000  1
  Nd  Nd1  4  0.1735  0.0809  0.5000  1
  Nd  Nd2  4  0.2112  0.3872  0.5000  1
  Ho  Ho3  4  0.1197  0.7145  0.5000  1
  Ho  Ho4  2  0.0000  0.5000  0.0000  1
  Mg  Mg5  2  0.0000  0.0000  0.0000  1
]