data_[Ac8Nd8H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.3836]
_cell_length_b [10.4952]
_cell_length_c [6.9400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [AcNdH]
_chemical_formula_sum '[Ac8 Nd8 H8]'
_cell_volume [675.6106]
_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  0.3538  0.2394  0.1696  1
  Ac  Ac1  4  0.4792  0.5940  0.2354  1
  Nd  Nd2  4  0.1219  0.4641  0.4449  1
  Nd  Nd3  4  0.2737  0.1047  0.6566  1
  H  H4  4  0.1656  0.0740  0.9732  1
  H  H5  4  0.3444  0.4466  0.0024  1
]