data_[Nd6Mg48Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.3346]
_cell_length_b [10.3346]
_cell_length_c [15.2011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd2Mg16Pb]
_chemical_formula_sum '[Nd6 Mg48 Pb3]'
_cell_volume [1406.0279]
_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  3  0.0000  0.0000  0.3273  1
  Nd  Nd1  3  0.0000  0.0000  0.6712  1
  Mg  Mg2  18  0.0004  0.3110  0.0008  1
  Mg  Mg3  9  0.0172  0.5086  0.1556  1
  Mg  Mg4  9  0.1686  0.3372  0.1786  1
  Mg  Mg5  9  0.1690  0.8310  0.8337  1
  Mg  Mg6  3  0.0000  0.0000  0.0951  1
  Pb  Pb7  3  0.0000  0.0000  0.8981  1
]