data_[Ac8Nd8Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8067]
_cell_length_b [4.3120]
_cell_length_c [10.3328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcNdTe]
_chemical_formula_sum '[Ac8 Nd8 Te8]'
_cell_volume [926.0695]
_cell_formula_units_Z [8]
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  0.0766  0.5000  0.8053  1
  Ac  Ac1  4  0.0781  0.0000  0.3978  1
  Nd  Nd2  4  0.1824  0.0000  0.0296  1
  Nd  Nd3  4  0.2429  0.5000  0.2935  1
  Te  Te4  4  0.0851  0.5000  0.1459  1
  Te  Te5  4  0.1701  0.5000  0.5578  1
]