data_[Tl8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5297]
_cell_length_b [3.8690]
_cell_length_c [7.7011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Se]
_chemical_formula_sum '[Tl8 Se4]'
_cell_volume [385.9179]
_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
[
  Tl  Tl0  4  0.1327  0.0000  0.5738  1.0
  Tl  Tl1  4  0.1330  0.0000  0.0614  1.0
  Se  Se2  4  0.0144  0.5000  0.2577  1.0
]