data_[Mg28Si2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1686]
_cell_length_b [6.5955]
_cell_length_c [10.6525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14SiSn]
_chemical_formula_sum '[Mg28 Si2 Sn2]'
_cell_volume [714.4316]
_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
[
  Mg  Mg0  8  0.2556  0.2453  0.4141  1.0
  Mg  Mg1  4  0.0000  0.2492  0.0839  1.0
  Mg  Mg2  4  0.2487  0.0000  0.6663  1.0
  Mg  Mg3  4  0.2546  0.0000  0.1692  1.0
  Mg  Mg4  4  0.5000  0.2493  0.5854  1.0
  Mg  Mg5  2  0.0000  0.0000  0.3350  1.0
  Mg  Mg6  2  0.0000  0.0000  0.8354  1.0
  Si  Si7  2  0.5000  0.0000  0.3311  1.0
  Sn  Sn8  2  0.5000  0.0000  0.8323  1.0
]