data_[Er2Tl2Zn2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1100]
_cell_length_b [4.1173]
_cell_length_c [9.8101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErTlZnSe3]
_chemical_formula_sum '[Er2 Tl2 Zn2 Se6]'
_cell_volume [349.8267]
_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  0.3281  0.7500  0.8595  1.0
  Tl  Tl1  2  0.2110  0.2500  0.2228  1.0
  Zn  Zn2  2  0.0825  0.2500  0.6071  1.0
  Se  Se3  2  0.1108  0.2500  0.8649  1.0
  Se  Se4  2  0.2049  0.7500  0.5376  1.0
  Se  Se5  2  0.4627  0.7500  0.1599  1.0
]