data_[La2Mg1Al7]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3908]
_cell_length_b [4.3908]
_cell_length_c [11.3797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [La2MgAl7]
_chemical_formula_sum '[La2 Mg1 Al7]'
_cell_volume [219.3873]
_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  0.0000  0.5000  0.2574  1.0
  Mg  Mg1  1  0.5000  0.5000  0.0000  1.0
  Al  Al2  2  0.0000  0.5000  0.6334  1.0
  Al  Al3  2  0.0000  0.5000  0.8580  1.0
  Al  Al4  1  0.0000  0.0000  0.0000  1.0
  Al  Al5  1  0.0000  0.0000  0.5000  1.0
  Al  Al6  1  0.5000  0.5000  0.5000  1.0
]