data_[Ac4La7Nd1]
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 [P-1]
_cell_length_a [6.6788]
_cell_length_b [7.6926]
_cell_length_c [9.5197]
_cell_angle_alpha [90.1378]
_cell_angle_beta [103.5320]
_cell_angle_gamma [90.0730]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac4La7Nd]
_chemical_formula_sum '[Ac4 La7 Nd1]'
_cell_volume [475.5169]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.2192  0.9991  0.6724  1
  Ac  Ac1  2  0.2273  0.4996  0.6715  1
  La  La2  2  0.2741  0.2468  0.3268  1
  Ac  Ac3  2  0.2785  0.7584  0.3292  1
  La  La4  2  0.4975  0.2447  0.0039  1
  La  La5  1  0.0000  0.5000  0.0000  1
  Nd  Nd6  1  0.0000  0.0000  0.0000  1
]