data_[Tl10Sn4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4288]
_cell_length_b [4.8804]
_cell_length_c [12.4408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5Sn2Se5]
_chemical_formula_sum '[Tl10 Sn4 Se10]'
_cell_volume [819.0702]
_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
[
  Tl  Tl0  4  0.1576  0.5000  0.0529  1.0
  Tl  Tl1  4  0.2341  0.5000  0.3510  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  4  0.0478  0.0000  0.7944  1.0
  Se  Se4  4  0.1118  0.0000  0.3981  1.0
  Se  Se5  4  0.1423  0.5000  0.7899  1.0
  Se  Se6  2  0.0000  0.0000  0.0000  1.0
]