data_MgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   5.97
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe
_chemical_formula_sum   'Mg2 Te2'
_cell_volume   105.63
_cell_formula_units_Z   2
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  0.03  0.48  0.29  1.0
  Mg  Mg1  1  0.1  0.49  0.97  1.0
  Te  Te2  1  0.98  0.48  0.13  1.0
  Te  Te3  1  0.14  0.49  0.13  1.0

data_MgTe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.15
_cell_length_b   4.26
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.43
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgTe
_chemical_formula_sum   'Mg2 Te2'
_cell_volume   105.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.47  0.66  0.49  1.0
  Te  Te1  2  0.42  0.5  0.49  1.0

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