data_[Nd4Mg8Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.0366]
_cell_length_b [10.9153]
_cell_length_c [5.9429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdMg2Sn3]
_chemical_formula_sum '[Nd4 Mg8 Sn12]'
_cell_volume [715.9323]
_cell_formula_units_Z [4]
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  0.0000  0.3282  0.7500  1
  Mg  Mg1  8  0.1599  0.0000  0.0000  1
  Sn  Sn2  8  0.1417  0.3890  0.2500  1
  Sn  Sn3  4  0.0000  0.1598  0.2500  1
]