data_[La15Mg3]
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 [R32]
_cell_length_a [6.4156]
_cell_length_b [6.4156]
_cell_length_c [17.4854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [La5Mg]
_chemical_formula_sum '[La15 Mg3]'
_cell_volume [623.2858]
_cell_formula_units_Z [3]
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  9  0.0000  0.6257  0.0000  1.0
  La  La1  6  0.0000  0.0000  0.1569  1.0
  Mg  Mg2  3  0.0000  0.0000  0.5000  1.0
]