data_[La13Mg2]
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 [P-1]
_cell_length_a [6.3480]
_cell_length_b [9.0092]
_cell_length_c [9.7507]
_cell_angle_alpha [70.4367]
_cell_angle_beta [83.8911]
_cell_angle_gamma [89.0499]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La13Mg2]
_chemical_formula_sum '[La13 Mg2]'
_cell_volume [522.3583]
_cell_formula_units_Z [1]
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  0.1368  0.2554  0.2148  1.0
  La  La1  2  0.2043  0.4022  0.8064  1.0
  La  La2  2  0.2599  0.5293  0.4050  1.0
  La  La3  2  0.3302  0.6657  0.9967  1.0
  La  La4  2  0.3899  0.8087  0.5931  1.0
  La  La5  2  0.4731  0.9301  0.2016  1.0
  La  La6  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg7  2  0.0699  0.1366  0.6042  1.0
]