data_[Er6Tl2Ag4Te12]
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
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.6952]
_cell_length_b [4.4829]
_cell_length_c [9.4490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Tl(AgTe3)2]
_chemical_formula_sum '[Er6 Tl2 Ag4 Te12]'
_cell_volume [855.0996]
_cell_formula_units_Z [2]
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  4  0.1605  0.0000  0.8014  1.0
  Er  Er1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag3  4  0.2327  0.0000  0.1906  1.0
  Te  Te4  4  0.0143  0.0000  0.7326  1.0
  Te  Te5  4  0.1500  0.5000  0.5674  1.0
  Te  Te6  4  0.1672  0.5000  0.0461  1.0
]