data_[Ac6Mg48In3]
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 [R3m]
_cell_length_a [10.4510]
_cell_length_b [10.4510]
_cell_length_c [15.3373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ac2Mg16In]
_chemical_formula_sum '[Ac6 Mg48 In3]'
_cell_volume [1450.7508]
_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  3  0.0000  0.0000  0.3321  1
  Ac  Ac1  3  0.0000  0.0000  0.6682  1
  Mg  Mg2  18  0.0001  0.2985  0.0005  1
  Mg  Mg3  9  0.0077  0.5039  0.1542  1
  Mg  Mg4  9  0.1676  0.3352  0.8338  1
  Mg  Mg5  9  0.1693  0.3385  0.1798  1
  Mg  Mg6  3  0.0000  0.0000  0.0940  1
  In  In7  3  0.0000  0.0000  0.8996  1
]