data_[La12Mg4Sn8]
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 [Ibam]
_cell_length_a [6.7405]
_cell_length_b [17.3109]
_cell_length_c [6.5713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La3MgSn2]
_chemical_formula_sum '[La12 Mg4 Sn8]'
_cell_volume [766.7621]
_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  8  0.2476  0.1781  0.5000  1
  La  La1  4  0.0000  0.5000  0.2500  1
  Mg  Mg2  4  0.0000  0.0000  0.2500  1
  Sn  Sn3  8  0.2369  0.1295  0.0000  1
]