data_[Mg24In3Sn18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.4381]
_cell_length_b [8.4381]
_cell_length_c [19.5252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg8InSn6]
_chemical_formula_sum '[Mg24 In3 Sn18]'
_cell_volume [1203.9719]
_cell_formula_units_Z [3]
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
[
  Mg  Mg0  18  0.0063  0.3216  0.1117  1
  Mg  Mg1  6  0.0000  0.0000  0.3363  1
  In  In2  3  0.0000  0.0000  0.0000  1
  Sn  Sn3  18  0.0064  0.3510  0.9301  1
]