data_[Er12Te6Ir4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1926]
_cell_length_b [12.4288]
_cell_length_c [7.5908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Te3Ir2Au]
_chemical_formula_sum '[Er12 Te6 Ir4 Au2]'
_cell_volume [644.2858]
_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  8  0.2488  0.1779  0.2113  1
  Er  Er1  4  0.2130  0.5000  0.2060  1
  Te  Te2  4  0.0000  0.1599  0.5000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
  Ir  Ir4  4  0.0000  0.3321  0.0000  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]