data_ZrGeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGeTe
_chemical_formula_sum   'Zr2 Ge2 Te2'
_cell_volume   136.0
_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
  Zr  Zr2  1  0.91  0.0  0.17  1.0
  Zr  Zr3  1  0.0  0.91  0.13  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.91  0.91  0.0  1.0
  Te  Te4  1  0.91  0.0  0.91  1.0
  Te  Te5  1  0.0  0.91  0.39  1.0

data_ZrGeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrGeTe
_chemical_formula_sum   'Zr4 Ge4 Te4'
_cell_volume   271.99
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.13  1.0
  Zr  Zr1  2  0.41  0.5  0.17  1.0
  Ge  Ge2  4  0.46  0.46  0.0  1.0
  Te  Te3  2  0.0  0.0  0.39  1.0
  Te  Te4  2  0.41  0.5  0.91  1.0

Zr Zr Ge Ge Te Te
Zr Zr Ge Ge Te Te 0 1 + - o 0 5 + - o 1 5 o o o 2 3 - - o 2 4 - o - 3 4 o + - 