data_[La6Mg6]
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 [5.6884]
_cell_length_b [3.8055]
_cell_length_c [17.0534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaMg]
_chemical_formula_sum '[La6 Mg6]'
_cell_volume [369.1658]
_cell_formula_units_Z [6]
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  0.0000  0.0171  1.0
  La  La1  2  0.0000  0.0000  0.3521  1.0
  La  La2  2  0.5000  0.0000  0.2007  1.0
  Mg  Mg3  2  0.0000  0.0000  0.6791  1.0
  Mg  Mg4  2  0.5000  0.0000  0.5319  1.0
  Mg  Mg5  2  0.5000  0.0000  0.8858  1.0
]