data_[Li1Fe4Ir15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8281]
_cell_length_b [3.8281]
_cell_length_c [19.0511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiFe4Ir15]
_chemical_formula_sum '[Li1 Fe4 Ir15]'
_cell_volume [279.1768]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1
  Fe  Fe1  2  0.0000  0.0000  0.1986  1
  Fe  Fe2  2  0.0000  0.0000  0.3990  1
  Ir  Ir3  4  0.0000  0.5000  0.1003  1
  Ir  Ir4  4  0.0000  0.5000  0.2998  1
  Ir  Ir5  2  0.0000  0.5000  0.5000  1
  Ir  Ir6  2  0.5000  0.5000  0.2000  1
  Ir  Ir7  2  0.5000  0.5000  0.3998  1
  Ir  Ir8  1  0.5000  0.5000  0.0000  1
]