data_[Er12Tl3Cd6Ag3]
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
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2375]
_cell_length_b [5.2375]
_cell_length_c [25.6077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er4TlCd2Ag]
_chemical_formula_sum '[Er12 Tl3 Cd6 Ag3]'
_cell_volume [608.3326]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1276  1.0
  Er  Er1  6  0.0000  0.0000  0.3781  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  6  0.0000  0.0000  0.2497  1.0
  Ag  Ag4  3  -0.0000  -0.0000  0.5000  1.0
]