data_MgGe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   141.12
_cell_angle_beta   141.12
_cell_angle_gamma   56.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Te
_chemical_formula_sum   'Mg1 Ge2 Te1'
_cell_volume   90.27
_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  Mg2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.04  0.71  1.0
  Ge  Ge1  1  0.04  0.0  0.71  1.0
  Te  Te3  1  0.0  0.0  0.41  1.0

data_MgGe2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   118.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGe2Te
_chemical_formula_sum   'Mg2 Ge4 Te2'
_cell_volume   180.54
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  4  0.02  0.02  0.34  1.0
  Te  Te2  2  0.0  0.0  0.59  1.0

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