data_[Ac4Sn2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6798]
_cell_length_b [4.1868]
_cell_length_c [9.5385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac2SnIr]
_chemical_formula_sum '[Ac4 Sn2 Ir2]'
_cell_volume [252.5748]
_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  2  0.2367  0.7500  0.4551  1
  Ac  Ac1  2  0.3203  0.2500  0.1072  1
  Sn  Sn2  2  0.1497  0.7500  0.7909  1
  Ir  Ir3  2  0.3911  0.2500  0.7005  1
]