data_[Mg14Fe1Sn1]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3020]
_cell_length_b [6.3020]
_cell_length_c [10.0694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg14FeSn]
_chemical_formula_sum '[Mg14 Fe1 Sn1]'
_cell_volume [346.3313]
_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  Mg0  6  0.1622  0.3245  0.2395  1
  Mg  Mg1  3  0.0016  0.5008  0.5000  1
  Mg  Mg2  3  0.5021  0.0041  0.0000  1
  Mg  Mg3  2  0.6667  0.3333  0.2530  1
  Fe  Fe4  1  0.0000  0.0000  0.0000  1
  Sn  Sn5  1  0.0000  0.0000  0.5000  1
]