data_[Er3Tm6Ir27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2862]
_cell_length_b [5.2862]
_cell_length_c [26.2782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [ErTm2Ir9]
_chemical_formula_sum '[Er3 Tm6 Ir27]'
_cell_volume [635.9394]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  6  0.0000  0.0000  0.1393  1.0
  Ir  Ir2  18  0.0002  0.5001  0.0826  1.0
  Ir  Ir3  6  0.0000  0.0000  0.3330  1.0
  Ir  Ir4  3  -0.0000  -0.0000  0.5000  1.0
]