data_[Y4Tl6Ge2Se12]
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
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3904]
_cell_length_b [4.1310]
_cell_length_c [8.9854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Tl3GeSe6]
_chemical_formula_sum '[Y4 Tl6 Ge2 Se12]'
_cell_volume [680.3355]
_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  4  0.1650  0.0000  0.3340  1
  Tl  Tl1  4  0.1684  0.0000  0.8413  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0072  0.0000  0.2192  1
  Se  Se5  4  0.1524  0.5000  0.1059  1
  Se  Se6  4  0.1769  0.5000  0.5639  1
]