data_[Ac2Mg6Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7724]
_cell_length_b [4.8186]
_cell_length_c [11.2371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AcMg3Ru]
_chemical_formula_sum '[Ac2 Mg6 Ru2]'
_cell_volume [258.4082]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0186  1
  Mg  Mg1  2  0.0000  0.0000  0.2713  1
  Mg  Mg2  2  0.0000  0.0000  0.5365  1
  Mg  Mg3  2  0.5000  0.0000  0.7370  1
  Ru  Ru4  2  0.5000  0.0000  0.3967  1
]