data_[Nd8Mg12Sn16]
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 [Cmce]
_cell_length_a [6.5019]
_cell_length_b [16.7659]
_cell_length_c [8.6009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd2Mg3Sn4]
_chemical_formula_sum '[Nd8 Mg12 Sn16]'
_cell_volume [937.5900]
_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  8  0.0000  0.1150  0.5849  1.0
  Mg  Mg1  8  0.2500  0.2152  0.2500  1.0
  Mg  Mg2  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  8  0.0000  0.1833  0.9503  1.0
  Sn  Sn4  8  0.2500  0.0448  0.2500  1.0
]