data_[Er6Si8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5676]
_cell_length_b [4.1559]
_cell_length_c [7.9434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(Si2Ir)2]
_chemical_formula_sum '[Er6 Si8 Ir4]'
_cell_volume [331.3702]
_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
[
  Er  Er0  4  0.1184  0.5000  0.6999  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.0920  0.0000  0.4072  1.0
  Si  Si3  4  0.2193  0.5000  0.0742  1.0
  Ir  Ir4  4  0.1873  0.5000  0.3615  1.0
]