data_[Er20Te4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7619]
_cell_length_b [7.7619]
_cell_length_c [13.3549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Er5TePd2]
_chemical_formula_sum '[Er20 Te4 Pd8]'
_cell_volume [804.5919]
_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  16  0.1543  0.3457  0.6413  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.0000  0.0000  0.2500  1
  Pd  Pd3  8  0.1383  0.6383  0.5000  1
]