data_Mg2FeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   135.86
_cell_angle_beta   135.86
_cell_angle_gamma   64.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeTe
_chemical_formula_sum   'Mg2 Fe1 Te1'
_cell_volume   79.13
_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  0.0  0.06  0.33  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.65  1.0
  Te  Te3  1  0.06  0.0  0.33  1.0

data_Mg2FeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.49
_cell_angle_alpha   112.07
_cell_angle_beta   112.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeTe
_chemical_formula_sum   'Mg2 Fe1 Te1'
_cell_volume   79.13
_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
  Mg  Mg1  1  0.26  0.33  0.26  1.0
  Fe  Fe2  1  0.65  0.65  0.65  1.0
  Te  Te3  1  0.33  0.26  0.26  1.0

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