data_[La4Mg12Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6887]
_cell_length_b [4.6729]
_cell_length_c [8.6776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaMg3Sn2]
_chemical_formula_sum '[La4 Mg12 Sn8]'
_cell_volume [630.2517]
_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  0.1387  0.0000  0.0590  1.0
  Mg  Mg1  4  0.0526  0.0000  0.3959  1.0
  Mg  Mg2  4  0.0998  0.5000  0.6895  1.0
  Mg  Mg3  4  0.1937  0.5000  0.4698  1.0
  Sn  Sn4  4  0.0200  0.5000  0.1803  1.0
  Sn  Sn5  4  0.2122  0.0000  0.7415  1.0
]