data_[La6Mg6In16]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7931]
_cell_length_b [10.9937]
_cell_length_c [14.1877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3Mg3In8]
_chemical_formula_sum '[La6 Mg6 In16]'
_cell_volume [747.6016]
_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  4  0.0000  0.0000  0.2008  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  4  0.0000  0.1857  0.0000  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  In  In4  8  0.0000  0.2892  0.3601  1.0
  In  In5  8  0.0000  0.3680  0.1524  1.0
]