data_[Ac2Nd4Tm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1467]
_cell_length_b [6.7481]
_cell_length_c [8.7863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(NdTm3)2]
_chemical_formula_sum '[Ac2 Nd4 Tm12]'
_cell_volume [621.6900]
_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
  Nd  Nd1  4  0.2429  0.0000  0.7985  1
  Tm  Tm2  8  0.0991  0.2393  0.4029  1
  Tm  Tm3  4  0.1737  0.5000  0.7593  1
]