data_[Er4Ir4Se8O4]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5355]
_cell_length_b [3.8286]
_cell_length_c [7.8493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErIrSe2O]
_chemical_formula_sum '[Er4 Ir4 Se8 O4]'
_cell_volume [345.9298]
_cell_formula_units_Z [4]
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  0.2232  0.0000  0.3107  1
  Ir  Ir1  2  0.0000  0.0000  0.0000  1
  Ir  Ir2  2  0.0000  0.5000  0.5000  1
  Se  Se3  4  0.0548  0.0000  0.6985  1
  Se  Se4  4  0.1437  0.5000  0.0147  1
  O  O5  4  0.1749  0.5000  0.4344  1
]