data_[Tm2Tl2Zn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [9.0674]
_cell_length_b [4.0988]
_cell_length_c [9.7656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmTlZnSe3]
_chemical_formula_sum '[Tm2 Tl2 Zn2 Se6]'
_cell_volume [344.6966]
_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
[
  Tm  Tm0  2  0.3282  0.7500  0.8597  1.0
  Tl  Tl1  2  0.2119  0.2500  0.2238  1.0
  Zn  Zn2  2  0.0824  0.2500  0.6070  1.0
  Se  Se3  2  0.1115  0.2500  0.8660  1.0
  Se  Se4  2  0.2069  0.7500  0.5382  1.0
  Se  Se5  2  0.4634  0.7500  0.1602  1.0
]