data_[Er4Ga8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1967]
_cell_length_b [4.1967]
_cell_length_c [20.8608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er(GaIr)2]
_chemical_formula_sum '[Er4 Ga8 Ir8]'
_cell_volume [367.3978]
_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
[
  Er  Er0  4  0.0000  0.0000  0.3919  1.0
  Ga  Ga1  4  0.0000  0.0000  0.0680  1.0
  Ga  Ga2  4  0.0000  0.5000  0.2500  1.0
  Ir  Ir3  4  0.0000  0.0000  0.1839  1.0
  Ir  Ir4  4  0.0000  0.5000  0.0000  1.0
]