data_[Er6Tl1Te8]
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
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.6023]
_cell_length_b [11.6023]
_cell_length_c [4.3830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Er6TlTe8]
_chemical_formula_sum '[Er6 Tl1 Te8]'
_cell_volume [510.9573]
_cell_formula_units_Z [1]
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  0.1345  0.6493  0.2508  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Te  Te2  6  0.0444  0.3492  0.2498  1.0
  Te  Te3  2  0.3333  0.6667  0.7512  1.0
]