data_[Mg2Sn10]
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 [C2/m]
_cell_length_a [13.7117]
_cell_length_b [3.2746]
_cell_length_c [7.4509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgSn5]
_chemical_formula_sum '[Mg2 Sn10]'
_cell_volume [322.6901]
_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  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  4  0.1584  0.5000  0.8412  1.0
  Sn  Sn2  4  0.1660  0.5000  0.3199  1.0
  Sn  Sn3  2  0.0000  0.0000  0.5000  1.0
]