data_[Y4Ge2Te8]
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 [C2/m]
_cell_length_a [15.9319]
_cell_length_b [4.3490]
_cell_length_c [7.6258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2GeTe4]
_chemical_formula_sum '[Y4 Ge2 Te8]'
_cell_volume [470.2301]
_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  0.2376  0.5000  0.7223  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.1170  0.0000  0.4433  1.0
  Te  Te3  4  0.1300  0.5000  0.9757  1.0
]