data_[Ac6Mg51In9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.4135]
_cell_length_b [11.4135]
_cell_length_c [16.0259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Mg17In3]
_chemical_formula_sum '[Ac6 Mg51 In9]'
_cell_volume [1807.9755]
_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
[
  Ac  Ac0  6  0.0000  0.0000  0.3550  1
  Mg  Mg1  18  0.0000  0.2543  0.0000  1
  Mg  Mg2  18  0.0159  0.5079  0.1771  1
  Mg  Mg3  9  0.0000  0.5000  0.5000  1
  Mg  Mg4  6  0.0000  0.0000  0.1055  1
  In  In5  9  0.0000  0.5000  0.0000  1
]