data_[Er8Fe4Ir16C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.3769]
_cell_length_b [9.5946]
_cell_length_c [10.9695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Er2Fe(IrC)4]
_chemical_formula_sum '[Er8 Fe4 Ir16 C16]'
_cell_volume [565.9113]
_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  8  0.0000  0.0000  0.3512  1
  Fe  Fe1  4  0.0000  0.0000  0.0000  1
  Ir  Ir2  8  0.2500  0.2500  0.0000  1
  Ir  Ir3  8  0.2500  0.2500  0.2500  1
  C  C4  16  0.0000  0.1432  0.1285  1
]