data_[Er6Tl6Cu2Te16]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9378]
_cell_length_b [8.6021]
_cell_length_c [9.6459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Tl3CuTe8]
_chemical_formula_sum '[Er6 Tl6 Cu2 Te16]'
_cell_volume [1060.7668]
_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  0.2500  0.2500  0.5000  1
  Er  Er1  2  0.0000  0.5000  0.5000  1
  Tl  Tl2  4  0.2500  0.2500  0.0000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Cu  Cu4  2  0.0000  0.0000  0.5000  1
  Te  Te5  8  0.0127  0.2416  0.2962  1
  Te  Te6  4  0.2101  0.0000  0.6889  1
  Te  Te7  4  0.2387  0.5000  0.7152  1
]