data_[Er16Bi2Ir4]
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 [C2/m]
_cell_length_a [8.6642]
_cell_length_b [13.0216]
_cell_length_c [5.5541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8BiIr2]
_chemical_formula_sum '[Er16 Bi2 Ir4]'
_cell_volume [610.4729]
_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  0.2036  0.1318  0.0895  1.0
  Er  Er1  4  0.0000  0.2505  0.5000  1.0
  Er  Er2  4  0.1051  0.5000  0.2900  1.0
  Bi  Bi3  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir4  4  0.0000  0.3096  0.0000  1.0
]