data_[Er12Tl8Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7925]
_cell_length_b [10.9291]
_cell_length_c [7.8571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Tl2Pd]
_chemical_formula_sum '[Er12 Tl8 Pd4]'
_cell_volume [658.8459]
_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  0.2240  0.3263  0.7672  1
  Er  Er1  4  0.1753  0.5000  0.1736  1
  Tl  Tl2  4  0.0000  0.1403  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
  Pd  Pd5  4  0.0000  0.2857  0.0000  1
]