data_[Ac16Nd4Tm8]
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 [Cc]
_cell_length_a [6.7949]
_cell_length_b [12.6737]
_cell_length_c [13.1655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ac4NdTm2]
_chemical_formula_sum '[Ac16 Nd4 Tm8]'
_cell_volume [1096.7684]
_cell_formula_units_Z [4]
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  4  0.0581  0.3613  0.7133  1
  Ac  Ac1  4  0.1139  0.0730  0.3548  1
  Ac  Ac2  4  0.2033  0.0932  0.6350  1
  Ac  Ac3  4  0.2558  0.3520  0.2916  1
  Nd  Nd4  4  0.1585  0.4397  0.0038  1
  Tm  Tm5  4  0.3594  0.1866  0.9335  1
  Tm  Tm6  4  0.4720  0.3231  0.5694  1
]