data_[Ac6As8Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5115]
_cell_length_b [4.3167]
_cell_length_c [9.6617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3As4Pd7]
_chemical_formula_sum '[Ac6 As8 Pd14]'
_cell_volume [586.4584]
_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  4  0.1825  0.5000  0.1405  1
  Ac  Ac1  2  0.0000  0.0000  0.5000  1
  As  As2  4  0.1179  0.0000  0.3181  1
  As  As3  4  0.1548  0.5000  0.7688  1
  Pd  Pd4  4  0.0167  0.5000  0.2365  1
  Pd  Pd5  4  0.1100  0.0000  0.8553  1
  Pd  Pd6  4  0.2003  0.5000  0.5411  1
  Pd  Pd7  2  0.0000  0.0000  0.0000  1
]