data_[Er4Tl3Pd1]
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 [P4/mmm]
_cell_length_a [3.5931]
_cell_length_b [3.5931]
_cell_length_c [15.6862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Er4Tl3Pd]
_chemical_formula_sum '[Er4 Tl3 Pd1]'
_cell_volume [202.5179]
_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  0.0000  0.0000  0.1055  1
  Er  Er1  2  0.0000  0.0000  0.3679  1
  Tl  Tl2  2  0.5000  0.5000  0.2391  1
  Tl  Tl3  1  0.5000  0.5000  0.5000  1
  Pd  Pd4  1  0.5000  0.5000  0.0000  1
]