data_[Ac18Ir6Pd3S3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5473]
_cell_length_b [7.5473]
_cell_length_c [21.3076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ac6Ir2PdS]
_chemical_formula_sum '[Ac18 Ir6 Pd3 S3]'
_cell_volume [1051.1094]
_cell_formula_units_Z [3]
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  9  0.0067  0.6477  0.2479  1
  Ac  Ac1  9  0.0096  0.3221  0.0842  1
  Pd  Pd2  3  0.0000  0.0000  0.1784  1
  Ir  Ir3  3  0.0000  0.0000  0.4928  1
  Ir  Ir4  3  0.0000  0.0000  0.9961  1
  S  S5  3  0.0000  0.0000  0.6761  1
]