data_[Y2Tl2Zn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [9.1188]
_cell_length_b [4.1373]
_cell_length_c [9.7713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YTlZnSe3]
_chemical_formula_sum '[Y2 Tl2 Zn2 Se6]'
_cell_volume [351.6586]
_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
[
  Y  Y0  2  0.3283  0.7500  0.8584  1.0
  Tl  Tl1  2  0.2093  0.2500  0.2221  1.0
  Zn  Zn2  2  0.0826  0.2500  0.6064  1.0
  Se  Se3  2  0.1092  0.2500  0.8650  1.0
  Se  Se4  2  0.2035  0.7500  0.5346  1.0
  Se  Se5  2  0.4608  0.7500  0.1619  1.0
]