data_[Ac4As2Ir1S1]
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
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6862]
_cell_length_b [4.4411]
_cell_length_c [7.7307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4As2IrS]
_chemical_formula_sum '[Ac4 As2 Ir1 S1]'
_cell_volume [249.7229]
_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
[
  Ac  Ac0  2  0.2394  0.0000  0.7401  1
  Ac  Ac1  2  0.2420  0.5000  0.2587  1
  As  As2  1  0.5000  0.0000  0.5000  1
  As  As3  1  0.5000  0.5000  0.0000  1
  Ir  Ir4  1  0.0000  0.5000  0.5000  1
  S  S5  1  0.0000  0.0000  0.0000  1
]