data_[Ac2Tm16]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.6491]
_cell_length_b [10.6491]
_cell_length_c [4.9997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [AcTm8]
_chemical_formula_sum '[Ac2 Tm16]'
_cell_volume [566.9900]
_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  0.0000  0.0000  0.0000  1
  Tm  Tm1  8  0.0000  0.3374  0.0000  1
  Tm  Tm2  8  0.1712  0.8288  0.5000  1
]