data_[La4Mg8]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0139]
_cell_length_b [3.3494]
_cell_length_c [8.0091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaMg2]
_chemical_formula_sum '[La4 Mg8]'
_cell_volume [335.0686]
_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  2  0.0042  0.0000  0.0215  1
  La  La1  2  0.1632  0.5000  0.3156  1
  Mg  Mg2  2  0.0489  0.0000  0.6100  1
  Mg  Mg3  2  0.2266  0.5000  0.9257  1
  Mg  Mg4  2  0.3345  0.0000  0.6654  1
  Mg  Mg5  2  0.3892  0.0000  0.2953  1
]