data_[La2Zn6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.4892]
_cell_length_b [7.1480]
_cell_length_c [5.2850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaZn3Ir]
_chemical_formula_sum '[La2 Zn6 Ir2]'
_cell_volume [201.7194]
_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  2  0.1530  0.0000  0.0470  1.0
  Zn  Zn1  4  0.1571  0.2904  0.5106  1.0
  Zn  Zn2  2  0.0161  0.5000  0.8145  1.0
  Ir  Ir3  2  0.3986  0.5000  0.3658  1.0
]