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 [P2_1/m]
_cell_length_a [13.2085]
_cell_length_b [3.5348]
_cell_length_c [14.4680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6Ho3Mg]
_chemical_formula_sum '[Nd12 Ho6 Mg2]'
_cell_volume [664.2831]
_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  2  0.1182  0.7500  0.4772  1.0
  Nd  Nd1  2  0.1893  0.2500  0.9226  1.0
  Nd  Nd2  2  0.2183  0.2500  0.2859  1.0
  Nd  Nd3  2  0.2643  0.2500  0.6998  1.0
  Nd  Nd4  2  0.3432  0.7500  0.1193  1.0
  Nd  Nd5  2  0.4994  0.7500  0.6907  1.0
  Ho  Ho6  2  0.0716  0.7500  0.0983  1.0
  Ho  Ho7  2  0.3693  0.2500  0.4987  1.0
  Ho  Ho8  2  0.4207  0.7500  0.9030  1.0
  Mg  Mg9  2  0.0368  0.7500  0.7224  1.0
]