data_MgAl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2Te
_chemical_formula_sum   'Mg1 Al2 Te1'
_cell_volume   88.9
_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
  Al  Al0  1  0.51  0.64  0.56  1.0
  Al  Al1  1  0.51  0.36  0.56  1.0
  Te  Te3  1  0.02  0.0  0.0  1.0

data_MgAl2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   114.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2Te
_chemical_formula_sum   'Mg1 Al2 Te1'
_cell_volume   88.9
_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
  Al  Al1  1  0.56  0.51  0.36  1.0
  Al  Al2  1  0.56  0.51  0.64  1.0
  Te  Te3  1  -0.0  0.02  0.0  1.0

Mg Al Al Te