data_[Ac3Si7Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0321]
_cell_length_b [4.3823]
_cell_length_c [11.7888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac3Si7Ir2]
_chemical_formula_sum '[Ac3 Si7 Ir2]'
_cell_volume [254.8057]
_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  0.3070  0.5000  0.6225  1
  Ac  Ac1  1  0.5000  0.5000  0.0000  1
  Si  Si2  2  0.0996  0.5000  0.1931  1
  Si  Si3  2  0.1934  0.0000  0.3762  1
  Si  Si4  2  0.3881  0.0000  0.1970  1
  Si  Si5  1  0.0000  0.0000  0.0000  1
  Ir  Ir6  2  0.1376  0.0000  0.8139  1
]