data_[Er9Tl12Te24Pb3]
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
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0088]
_cell_length_b [9.0088]
_cell_length_c [23.7967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er3Tl4Te8Pb]
_chemical_formula_sum '[Er9 Tl12 Te24 Pb3]'
_cell_volume [1672.5580]
_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  9  0.0000  0.5000  0.0000  1
  Tl  Tl1  9  0.0000  0.5000  0.5000  1
  Tl  Tl2  3  -0.0000  -0.0000  0.5000  1
  Te  Te3  18  0.0154  0.5077  0.2605  1
  Te  Te4  6  0.0000  0.0000  0.2621  1
  Pb  Pb5  3  -0.0000  -0.0000  0.0000  1
]