data_MgFeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.45
_cell_length_c   3.21
_cell_angle_alpha   77.92
_cell_angle_beta   73.52
_cell_angle_gamma   28.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeTe
_chemical_formula_sum   'Mg1 Fe1 Te1'
_cell_volume   62.27
_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  0.08  0.45  0.73  1.0
  Fe  Fe0  1  0.08  0.45  0.07  1.0
  Te  Te2  1  0.08  0.45  0.61  1.0

data_MgFeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   12.21
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   130.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgFeTe
_chemical_formula_sum   'Mg2 Fe2 Te2'
_cell_volume   124.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.23  0.5  0.81  1.0
  Fe  Fe1  2  0.07  0.0  0.16  1.0
  Te  Te2  2  0.11  0.5  0.7  1.0

Mg Fe Te