data_[Ac2La6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.0660]
_cell_length_b [6.9266]
_cell_length_c [6.6438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AcLa3Ir]
_chemical_formula_sum '[Ac2 La6 Ir2]'
_cell_volume [371.1841]
_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
[
  La  La0  4  0.2483  0.3296  0.9259  1
  Ac  Ac1  2  0.0000  0.1536  0.4319  1
  La  La2  2  0.0000  0.8435  0.9219  1
  Ir  Ir3  2  0.0000  0.5094  0.1724  1
]