data_Li2MgFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgFe
_chemical_formula_sum   'Li2 Mg1 Fe1'
_cell_volume   65.71
_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
  Li  Li1  1  0.37  0.73  0.32  1.0
  Li  Li2  1  0.37  0.27  0.32  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.74  0.0  0.0  1.0

data_Li2MgFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   117.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgFe
_chemical_formula_sum   'Li2 Mg1 Fe1'
_cell_volume   65.71
_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
  Li  Li0  1  0.32  0.37  0.27  1.0
  Li  Li1  1  0.32  0.37  0.73  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.74  0.0  1.0

Li Li Mg Fe