data_MgGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   144.87
_cell_angle_beta   144.87
_cell_angle_gamma   50.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeTe2
_chemical_formula_sum   'Mg1 Ge1 Te2'
_cell_volume   107.78
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.08  0.12  1.0
  Te  Te2  1  0.08  0.0  0.12  1.0
  Te  Te3  1  0.0  0.0  0.23  1.0

data_MgGeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.89
_cell_angle_alpha   107.57
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeTe2
_chemical_formula_sum   'Mg1 Ge1 Te2'
_cell_volume   107.78
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.96  0.08  0.96  1.0
  Te  Te2  1  0.77  0.0  0.77  1.0
  Te  Te3  1  0.88  0.0  0.96  1.0

Mg Ge Te Te
Mg Ge Te Te 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 