data_ZrGeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.36
_cell_length_c   3.27
_cell_angle_alpha   79.99
_cell_angle_beta   74.66
_cell_angle_gamma   25.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGeTe
_chemical_formula_sum   'Zr1 Ge1 Te1'
_cell_volume   73.66
_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
  Zr  Zr2  1  0.04  0.55  0.77  1.0
  Ge  Ge0  1  0.04  0.55  0.76  1.0
  Te  Te1  1  0.04  0.55  0.75  1.0

data_ZrGeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   14.14
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   128.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrGeTe
_chemical_formula_sum   'Zr2 Ge2 Te2'
_cell_volume   147.32
_cell_formula_units_Z   2
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  0.04  0.0  0.82  1.0
  Ge  Ge1  2  0.04  0.0  0.81  1.0
  Te  Te2  2  0.04  0.0  0.79  1.0

Zr Ge Te
Zr Ge Te 0 1 o o o 1 2 o o o 