data_[La4Nd12Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5969]
_cell_length_b [5.2082]
_cell_length_c [11.1244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaNd3Sn]
_chemical_formula_sum '[La4 Nd12 Sn4]'
_cell_volume [681.9354]
_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
[
  La  La0  4  0.1246  0.0000  0.1108  1
  Nd  Nd1  4  0.0161  0.0000  0.3612  1
  Nd  Nd2  4  0.0917  0.5000  0.8883  1
  Nd  Nd3  4  0.2106  0.5000  0.3369  1
  Sn  Sn4  4  0.1351  0.5000  0.5969  1
]