data_[Er4Tl4Zn4Te12]
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
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2910]
_cell_length_b [4.3988]
_cell_length_c [9.3799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErTlZnTe3]
_chemical_formula_sum '[Er4 Tl4 Zn4 Te12]'
_cell_volume [776.3874]
_cell_formula_units_Z [4]
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  0.1736  0.0000  0.0802  1
  Tl  Tl1  4  0.1360  0.0000  0.5694  1
  Zn  Zn2  4  0.0293  0.5000  0.2214  1
  Te  Te3  4  0.1662  0.5000  0.8568  1
  Te  Te4  4  0.1705  0.5000  0.3035  1
  Te  Te5  2  0.0000  0.0000  0.0000  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]