data_[Er4Sb2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0493]
_cell_length_b [4.2856]
_cell_length_c [7.9608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er2SbIr]
_chemical_formula_sum '[Er4 Sb2 Ir2]'
_cell_volume [192.9164]
_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  2  0.2560  0.2500  0.4502  1.0
  Er  Er1  2  0.3372  0.7500  0.0991  1.0
  Sb  Sb2  2  0.1058  0.2500  0.7896  1.0
  Ir  Ir3  2  0.3745  0.7500  0.7112  1.0
]