data_[Er12Bi4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4522]
_cell_length_b [7.8595]
_cell_length_c [11.9584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er6Bi2Ir]
_chemical_formula_sum '[Er12 Bi4 Ir2]'
_cell_volume [523.7988]
_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  0.1022  0.6876  0.9616  1
  Er  Er1  4  0.3202  0.1779  0.9584  1
  Er  Er2  4  0.3813  0.5214  0.7490  1
  Bi  Bi3  4  0.1482  0.6144  0.2466  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
]