data_[Nd36Tm18Mg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0744]
_cell_length_b [12.0744]
_cell_length_c [15.2525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12Tm6Mg]
_chemical_formula_sum '[Nd36 Tm18 Mg3]'
_cell_volume [1925.7640]
_cell_formula_units_Z [3]
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  18  0.0061  0.8285  0.8122  1
  Nd  Nd1  18  0.0464  0.2001  0.4152  1
  Tm  Tm2  18  0.0228  0.5906  0.6912  1
  Mg  Mg3  3  0.0000  0.0000  0.0000  1
]