data_[La8Mg4]
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 [C2/m]
_cell_length_a [12.4801]
_cell_length_b [3.7412]
_cell_length_c [8.9169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Mg]
_chemical_formula_sum '[La8 Mg4]'
_cell_volume [390.1127]
_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  0.0189  0.0000  0.7423  1.0
  La  La1  4  0.1708  0.5000  0.1190  1.0
  Mg  Mg2  4  0.1729  0.5000  0.5507  1.0
]