data_[Ac12Mg12Ag8]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9648]
_cell_length_b [17.4417]
_cell_length_c [6.2317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac3Mg3Ag2]
_chemical_formula_sum '[Ac12 Mg12 Ag8]'
_cell_volume [974.3948]
_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
[
  Ac  Ac0  8  0.0302  0.6102  0.6051  1
  Ac  Ac1  4  0.1646  0.7500  0.1110  1
  Mg  Mg2  8  0.1742  0.5336  0.0957  1
  Mg  Mg3  4  0.1835  0.2500  0.1102  1
  Ag  Ag4  8  0.1180  0.1093  0.8811  1
]