data_[Er4Tl5Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9723]
_cell_length_b [3.5956]
_cell_length_c [9.8366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Tl5Ir2]
_chemical_formula_sum '[Er4 Tl5 Ir2]'
_cell_volume [281.2498]
_cell_formula_units_Z [1]
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  0.1892  0.5000  0.8378  1.0
  Er  Er1  2  0.2011  0.5000  0.4363  1.0
  Tl  Tl2  2  0.1527  0.0000  0.1362  1.0
  Tl  Tl3  2  0.4630  0.0000  0.6649  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Ir  Ir5  2  0.0798  0.0000  0.6378  1.0
]