data_[Ac2Pr4Tm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1571]
_cell_length_b [6.7630]
_cell_length_c [8.8168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(PrTm3)2]
_chemical_formula_sum '[Ac2 Pr4 Tm12]'
_cell_volume [625.0933]
_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
  Pr  Pr1  4  0.2470  0.0000  0.8021  1
  Tm  Tm2  8  0.0987  0.2392  0.4025  1
  Tm  Tm3  4  0.1747  0.5000  0.7569  1
]