data_[Er16In4Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.7943]
_cell_length_b [14.4816]
_cell_length_c [4.8921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er8In2Ir3]
_chemical_formula_sum '[Er16 In4 Ir6]'
_cell_volume [693.8715]
_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  0.2470  0.1125  0.5000  1
  Er  Er1  4  0.0000  0.1136  0.0000  1
  Er  Er2  4  0.0000  0.3891  0.0000  1
  In  In3  4  0.0000  0.2549  0.5000  1
  Ir  Ir4  4  0.2475  0.5000  0.0000  1
  Ir  Ir5  2  0.0000  0.0000  0.5000  1
]