data_YGe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe2Te
_chemical_formula_sum   'Y1 Ge2 Te1'
_cell_volume   103.33
_cell_formula_units_Z   1
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  Y3  1  0.0  0.0  0.92  1.0
  Ge  Ge0  1  0.2  0.0  0.3  1.0
  Ge  Ge1  1  0.0  0.0  0.85  1.0
  Te  Te2  1  0.2  0.0  0.94  1.0

data_YGe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe2Te
_chemical_formula_sum   'Y1 Ge2 Te1'
_cell_volume   103.33
_cell_formula_units_Z   1
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  1  0.0  0.0  0.92  1.0
  Ge  Ge1  1  0.0  0.0  0.85  1.0
  Ge  Ge2  1  0.2  0.0  0.3  1.0
  Te  Te3  1  0.2  0.0  0.94  1.0

Y Ge Ge Te
Y Ge Ge Te 0 2 o o o 0 3 o o o 0 1 o o + 1 2 o o - 1 1 o + o 1 1 + o o 1 3 o o - 