data_Mg2ZnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZnFe
_chemical_formula_sum   'Mg2 Zn1 Fe1'
_cell_volume   65.64
_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  0.45  0.45  0.86  1.0
  Mg  Mg2  1  0.45  0.45  0.99  1.0
  Zn  Zn3  1  0.0  0.0  0.92  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Mg2ZnFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2ZnFe
_chemical_formula_sum   'Mg4 Zn2 Fe2'
_cell_volume   131.29
_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  0.45  0.0  0.86  1.0
  Mg  Mg1  2  0.45  0.0  0.99  1.0
  Zn  Zn2  2  0.0  0.0  0.92  1.0
  Fe  Fe3  2  0.0  0.0  0.0  1.0

Mg Mg Zn Fe