data_[Er24Ir4Se16]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9267]
_cell_length_b [13.2926]
_cell_length_c [20.4666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er6IrSe4]
_chemical_formula_sum '[Er24 Ir4 Se16]'
_cell_volume [1068.2835]
_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  8  0.0000  0.0691  0.1698  1
  Er  Er1  8  0.0000  0.2315  0.6003  1
  Er  Er2  4  0.0000  0.3184  0.2500  1
  Er  Er3  4  0.0000  0.5000  0.0000  1
  Ir  Ir4  4  0.0000  0.3279  0.7500  1
  Se  Se5  8  0.0000  0.1439  0.0356  1
  Se  Se6  8  0.0000  0.4193  0.1258  1
]