data_[Y2Ge6Te12]
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 [P2_1/m]
_cell_length_a [12.4524]
_cell_length_b [4.1245]
_cell_length_c [13.3808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y(GeTe2)3]
_chemical_formula_sum '[Y2 Ge6 Te12]'
_cell_volume [634.3502]
_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  2  0.0487  0.2500  0.7117  1
  Ge  Ge1  2  0.1983  0.2500  0.2010  1
  Ge  Ge2  2  0.2981  0.7500  0.5976  1
  Ge  Ge3  2  0.4971  0.7500  0.1442  1
  Te  Te4  2  0.0310  0.7500  0.8816  1
  Te  Te5  2  0.0968  0.2500  0.4807  1
  Te  Te6  2  0.2309  0.7500  0.3412  1
  Te  Te7  2  0.2540  0.7500  0.7805  1
  Te  Te8  2  0.3285  0.2500  0.0776  1
  Te  Te9  2  0.4641  0.2500  0.6412  1
]