data_[Ba2La2Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3539]
_cell_length_b [7.4440]
_cell_length_c [11.9777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaLaMg6]
_chemical_formula_sum '[Ba2 La2 Mg12]'
_cell_volume [477.3703]
_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
[
  Ba  Ba0  2  0.5000  0.0000  0.4006  1.0
  La  La1  2  0.0000  0.0000  0.0958  1.0
  Mg  Mg2  4  0.0000  0.2116  0.8357  1.0
  Mg  Mg3  4  0.5000  0.2251  0.6589  1.0
  Mg  Mg4  2  0.0000  0.0000  0.5974  1.0
  Mg  Mg5  2  0.5000  0.0000  0.9167  1.0
]