data_[Ac1Mg6Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [8.5001]
_cell_length_b [8.5001]
_cell_length_c [4.5884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ac(Mg3Sn2)2]
_chemical_formula_sum '[Ac1 Mg6 Sn4]'
_cell_volume [287.1056]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  3  0.2034  0.4068  0.5000  1
  Mg  Mg2  3  0.5374  0.0749  0.0000  1
  Sn  Sn3  3  0.3767  0.1883  0.5000  1
  Sn  Sn4  1  0.3333  0.6667  0.0000  1
]