data_[Mg10Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.5227]
_cell_length_b [9.5403]
_cell_length_c [4.6339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg5Sn3]
_chemical_formula_sum '[Mg10 Sn6]'
_cell_volume [376.7801]
_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  4  0.2278  0.5000  0.5000  1
  Mg  Mg1  4  0.2500  0.2500  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Sn  Sn3  4  0.0000  0.2167  0.5000  1
  Sn  Sn4  2  0.0000  0.5000  0.0000  1
]