data_Mg2FeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   137.22
_cell_angle_beta   134.31
_cell_angle_gamma   64.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeTe
_chemical_formula_sum   'Mg2 Fe1 Te1'
_cell_volume   76.79
_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  0.98  0.0  0.23  1.0
  Mg  Mg2  1  0.0  0.11  0.36  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.6  1.0

data_Mg2FeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.22
_cell_length_c   5.43
_cell_angle_alpha   112.84
_cell_angle_beta   111.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeTe
_chemical_formula_sum   'Mg2 Fe1 Te1'
_cell_volume   76.79
_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  0.23  0.25  1.0
  Mg  Mg1  1  0.89  0.25  0.25  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.6  0.6  1.0

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