data_[Tl10Ge4Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0474]
_cell_length_b [4.9285]
_cell_length_c [12.6728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5Ge2Te5]
_chemical_formula_sum '[Tl10 Ge4 Te10]'
_cell_volume [887.0257]
_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  0.1589  0.5000  0.0608  1.0
  Tl  Tl1  4  0.2452  0.5000  0.3493  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge3  4  0.0453  0.0000  0.7979  1.0
  Te  Te4  4  0.1088  0.0000  0.3869  1.0
  Te  Te5  4  0.1397  0.5000  0.7927  1.0
  Te  Te6  2  0.0000  0.0000  0.0000  1.0
]