data_[Ac6Tm6Mg45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.6481]
_cell_length_b [10.6481]
_cell_length_c [15.4765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Tm2Mg15]
_chemical_formula_sum '[Ac6 Tm6 Mg45]'
_cell_volume [1519.6664]
_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  0.3366  1
  Tm  Tm1  6  0.0000  0.0000  0.1004  1
  Mg  Mg2  18  0.0000  0.2908  0.0000  1
  Mg  Mg3  18  0.0041  0.5020  0.1478  1
  Mg  Mg4  9  0.0000  0.5000  0.5000  1
]