data_[Er12Tl2Te6]
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 [P2_1/m]
_cell_length_a [12.0212]
_cell_length_b [4.0077]
_cell_length_c [12.7382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er6TlTe3]
_chemical_formula_sum '[Er12 Tl2 Te6]'
_cell_volume [595.5747]
_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  2  0.0553  0.2500  0.8805  1.0
  Er  Er1  2  0.1203  0.7500  0.4669  1.0
  Er  Er2  2  0.2138  0.2500  0.2435  1.0
  Er  Er3  2  0.2515  0.2500  0.7022  1.0
  Er  Er4  2  0.4209  0.7500  0.1187  1.0
  Er  Er5  2  0.4852  0.7500  0.6508  1.0
  Tl  Tl6  2  0.0383  0.7500  0.6888  1.0
  Te  Te7  2  0.1649  0.7500  0.0530  1.0
  Te  Te8  2  0.3313  0.2500  0.4877  1.0
  Te  Te9  2  0.3853  0.7500  0.8647  1.0
]