data_[Ho2Tl2Zn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [9.0944]
_cell_length_b [4.1209]
_cell_length_c [9.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoTlZnSe3]
_chemical_formula_sum '[Ho2 Tl2 Zn2 Se6]'
_cell_volume [348.7012]
_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
[
  Ho  Ho0  2  0.3280  0.7500  0.8588  1.0
  Tl  Tl1  2  0.2105  0.2500  0.2223  1.0
  Zn  Zn2  2  0.0826  0.2500  0.6068  1.0
  Se  Se3  2  0.1100  0.2500  0.8653  1.0
  Se  Se4  2  0.2049  0.7500  0.5362  1.0
  Se  Se5  2  0.4619  0.7500  0.1609  1.0
]