data_Mn2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.37
_cell_angle_alpha   106.28
_cell_angle_beta   106.28
_cell_angle_gamma   57.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GeTe
_chemical_formula_sum   'Mn2 Ge1 Te1'
_cell_volume   76.1
_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
  Mn  Mn1  1  0.17  0.0  0.77  1.0
  Mn  Mn2  1  0.57  0.0  0.26  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.37  0.0  0.02  1.0

data_Mn2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.86
_cell_length_c   6.37
_cell_angle_alpha   106.28
_cell_angle_beta   90.0
_cell_angle_gamma   118.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GeTe
_chemical_formula_sum   'Mn2 Ge1 Te1'
_cell_volume   76.1
_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
  Mn  Mn0  1  0.0  0.43  0.74  1.0
  Mn  Mn1  1  0.0  0.83  0.23  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.63  0.98  1.0

Mn Mn Ge Te
Mn Mn Ge Te 0 2 o o + 0 3 o o + 1 3 o o o 2 3 o o o 