data_[Mg10Fe10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3671]
_cell_length_b [15.0029]
_cell_length_c [4.7888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgFe]
_chemical_formula_sum '[Mg10 Fe10]'
_cell_volume [313.7542]
_cell_formula_units_Z [10]
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  4  0.0000  0.1795  0.2269  1
  Mg  Mg1  4  0.5000  0.1899  0.8061  1
  Mg  Mg2  2  0.5000  0.0000  0.8931  1
  Fe  Fe3  4  0.0000  0.0791  0.6864  1
  Fe  Fe4  4  0.5000  0.0781  0.3851  1
  Fe  Fe5  2  0.0000  0.0000  0.2349  1
]