data_[Ac6Nd2In2]
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 [Pm]
_cell_length_a [6.4676]
_cell_length_b [6.0388]
_cell_length_c [10.2487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ac3NdIn]
_chemical_formula_sum '[Ac6 Nd2 In2]'
_cell_volume [380.6870]
_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  1  0.0784  0.5000  0.5390  1
  Ac  Ac1  1  0.2474  0.0000  0.1735  1
  Ac  Ac2  1  0.2528  0.5000  0.9332  1
  Ac  Ac3  1  0.6289  0.0000  0.9263  1
  Ac  Ac4  1  0.7030  0.5000  0.7432  1
  Ac  Ac5  1  0.8674  0.5000  0.1631  1
  Nd  Nd6  1  0.4510  0.0000  0.5437  1
  Nd  Nd7  1  0.5000  0.5000  0.3421  1
  In  In8  1  0.0267  0.0000  0.7297  1
  In  In9  1  0.8242  0.0000  0.3629  1
]