data_Zr2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.87
_cell_angle_alpha   97.76
_cell_angle_beta   97.76
_cell_angle_gamma   37.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeTe
_chemical_formula_sum   'Zr2 Ge1 Te1'
_cell_volume   87.83
_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  0.07  0.0  0.4  1.0
  Zr  Zr3  1  0.02  0.0  0.18  1.0
  Ge  Ge0  1  0.89  0.0  0.85  1.0
  Te  Te1  1  0.56  0.0  0.8  1.0

data_Zr2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.87
_cell_length_c   5.48
_cell_angle_alpha   97.76
_cell_angle_beta   108.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeTe
_chemical_formula_sum   'Zr2 Ge1 Te1'
_cell_volume   87.83
_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  Zr0  1  0.0  0.18  0.02  1.0
  Zr  Zr1  1  0.0  0.4  0.07  1.0
  Ge  Ge2  1  0.0  0.85  0.89  1.0
  Te  Te3  1  0.0  0.8  0.56  1.0

Zr Zr Ge Te