data_[Ac12Nd2In10]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4838]
_cell_length_b [9.2997]
_cell_length_c [16.6112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac6NdIn5]
_chemical_formula_sum '[Ac12 Nd2 In10]'
_cell_volume [847.1377]
_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  8  0.0000  0.2619  0.8278  1
  Ac  Ac1  4  0.0000  0.2274  0.5000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.0000  0.0000  0.3278  1
  In  In4  4  0.0000  0.5000  0.3514  1
  In  In5  2  0.0000  0.5000  0.0000  1
]