data_Fe2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   24.13
_cell_angle_beta   24.13
_cell_angle_gamma   24.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeTe
_chemical_formula_sum   'Fe2 Ge1 Te1'
_cell_volume   60.6
_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
  Fe  Fe0  1  0.0  0.0  0.52  1.0
  Fe  Fe1  1  0.0  0.0  0.15  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.84  1.0

data_Fe2GeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   103.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2GeTe
_chemical_formula_sum   'Fe4 Ge2 Te2'
_cell_volume   121.2
_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
  Fe  Fe0  2  -0.0  0.0  0.85  1.0
  Fe  Fe1  2  -0.0  0.0  0.48  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Te  Te3  2  -0.0  0.0  0.16  1.0

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