data_[Li4Mg2Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3449]
_cell_length_b [7.3449]
_cell_length_c [2.6899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2MgFe2]
_chemical_formula_sum '[Li4 Mg2 Fe4]'
_cell_volume [145.1137]
_cell_formula_units_Z [2]
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  4  0.1794  0.3206  0.0000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.1113  0.6113  0.5000  1
]