data_[Ac4La4Nd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7884]
_cell_length_b [12.0053]
_cell_length_c [11.0124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcLaNd4]
_chemical_formula_sum '[Ac4 La4 Nd16]'
_cell_volume [897.4817]
_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  0.0000  0.0000  0.0000  1
  La  La1  4  0.0000  0.1874  0.7500  1
  Nd  Nd2  8  0.0000  0.3283  0.0721  1
  Nd  Nd3  8  0.2316  0.4191  0.7500  1
]