data_Mg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Te
_chemical_formula_sum   'Mg6 Te3'
_cell_volume   280.81
_cell_formula_units_Z   3
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  0.38  0.4  0.26  1.0
  Mg  Mg1  1  0.33  0.0  0.26  1.0
  Mg  Mg2  1  0.84  0.75  0.26  1.0
  Mg  Mg3  1  0.62  0.4  0.18  1.0
  Mg  Mg4  1  0.77  0.0  0.18  1.0
  Mg  Mg5  1  0.16  0.75  0.18  1.0
  Te  Te6  1  0.0  0.0  0.0  1.0
  Te  Te7  1  0.0  0.1  0.22  1.0
  Te  Te8  1  0.55  0.05  0.22  1.0

data_Mg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.44
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Te
_chemical_formula_sum   'Mg6 Te3'
_cell_volume   280.81
_cell_formula_units_Z   3
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  0.18  0.16  0.75  1.0
  Mg  Mg1  1  0.18  0.62  0.4  1.0
  Mg  Mg2  1  0.18  0.77  0.0  1.0
  Mg  Mg3  1  0.26  0.33  0.0  1.0
  Mg  Mg4  1  0.26  0.38  0.4  1.0
  Mg  Mg5  1  0.26  0.84  0.75  1.0
  Te  Te6  1  0.0  0.0  0.0  1.0
  Te  Te7  1  0.22  -0.0  0.1  1.0
  Te  Te8  1  0.22  0.55  0.05  1.0

Mg Mg Mg Mg Mg Mg Te Te Te