data_[La26Mg6]
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 [Amm2]
_cell_length_a [11.1738]
_cell_length_b [8.9435]
_cell_length_c [11.0986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La13Mg3]
_chemical_formula_sum '[La26 Mg6]'
_cell_volume [1109.1117]
_cell_formula_units_Z [2]
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  0.2470  0.2346  0.2507  1
  La  La1  4  0.0000  0.2498  0.4934  1
  La  La2  4  0.2614  0.0000  0.5109  1
  La  La3  4  0.5000  0.2027  0.0077  1
  La  La4  2  0.0000  0.0000  0.7324  1
  La  La5  2  0.5000  0.0000  0.3033  1
  La  La6  2  0.5000  0.0000  0.7145  1
  Mg  Mg7  4  0.2358  0.0000  0.9899  1
  Mg  Mg8  2  0.0000  0.0000  0.2431  1
]