data_[Y12Ge4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.1016]
_cell_length_b [14.9968]
_cell_length_c [7.3459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y3GeTe6]
_chemical_formula_sum '[Y12 Ge4 Te24]'
_cell_volume [1333.1639]
_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
[
  Y  Y0  8  0.1821  0.0972  0.9846  1.0
  Y  Y1  4  0.0000  0.4066  0.8766  1.0
  Ge  Ge2  4  0.0000  0.2019  0.5242  1.0
  Te  Te3  8  0.1635  0.4623  0.1778  1.0
  Te  Te4  8  0.1735  0.2699  0.7175  1.0
  Te  Te5  4  0.0000  0.0336  0.6824  1.0
  Te  Te6  4  0.0000  0.2217  0.1423  1.0
]