data_[La8Mg8In4]
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 [C2/m]
_cell_length_a [11.6175]
_cell_length_b [5.2494]
_cell_length_c [9.8984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Mg2In]
_chemical_formula_sum '[La8 Mg8 In4]'
_cell_volume [578.1489]
_cell_formula_units_Z [4]
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  0.0508  0.0000  0.3566  1.0
  La  La1  4  0.1757  0.0000  0.0603  1.0
  Mg  Mg2  4  0.0110  0.5000  0.8569  1.0
  Mg  Mg3  4  0.1370  0.5000  0.5859  1.0
  In  In4  4  0.2449  0.5000  0.2985  1.0
]