data_[La4Zn12Cu4Ir4]
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
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.3466]
_cell_length_b [12.7780]
_cell_length_c [5.3975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaZn3CuIr]
_chemical_formula_sum '[La4 Zn12 Cu4 Ir4]'
_cell_volume [437.7243]
_cell_formula_units_Z [4]
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  0.0000  0.2812  0.7500  1
  Zn  Zn1  8  0.1989  0.5000  0.0000  1
  Zn  Zn2  4  0.0000  0.1405  0.2500  1
  Cu  Cu3  4  0.0000  0.0541  0.7500  1
  Ir  Ir4  4  0.0000  0.3431  0.2500  1
]