data_MgFe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   38.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2Te
_chemical_formula_sum   'Mg1 Fe2 Te1'
_cell_volume   68.87
_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  0.03  1.0
  Fe  Fe0  1  0.0  0.0  0.9  1.0
  Fe  Fe1  1  0.99  0.0  0.2  1.0
  Te  Te3  1  0.99  0.0  0.01  1.0

data_MgFe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.97
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   109.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2Te
_chemical_formula_sum   'Mg1 Fe2 Te1'
_cell_volume   68.87
_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  0.97  0.0  0.97  1.0
  Fe  Fe1  1  0.1  0.0  0.1  1.0
  Fe  Fe2  1  0.8  0.99  0.8  1.0
  Te  Te3  1  0.99  0.99  0.99  1.0

Mg Fe Fe Te