data_[Er8Ir8Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.8638]
_cell_length_b [5.3303]
_cell_length_c [9.1324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ErIrOs]
_chemical_formula_sum '[Er8 Ir8 Os8]'
_cell_volume [431.4786]
_cell_formula_units_Z [8]
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  0.1832  0.0000  0.3342  1.0
  Er  Er1  4  0.3188  0.0000  0.6672  1.0
  Os  Os2  4  0.0000  0.2450  0.5850  1.0
  Ir  Ir3  4  0.2511  0.0000  0.0035  1.0
  Ir  Ir4  4  0.5000  0.2462  0.4122  1.0
  Os  Os5  2  0.0000  0.0000  0.8262  1.0
  Os  Os6  2  0.5000  0.0000  0.1695  1.0
]