data_Fe2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.29
_cell_angle_alpha   102.2
_cell_angle_beta   102.2
_cell_angle_gamma   44.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeTe
_chemical_formula_sum   'Fe2 Ge1 Te1'
_cell_volume   59.93
_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  0.39  0.0  0.13  1.0
  Fe  Fe1  1  0.98  0.0  0.01  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.19  0.0  0.57  1.0

data_Fe2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.09
_cell_length_c   5.29
_cell_angle_alpha   102.2
_cell_angle_beta   90.0
_cell_angle_gamma   112.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeTe
_chemical_formula_sum   'Fe2 Ge1 Te1'
_cell_volume   59.93
_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  0.02  0.99  1.0
  Fe  Fe1  1  0.0  0.61  0.87  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.81  0.43  1.0

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