data_[Mg4Sn8]
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 [Cm]
_cell_length_a [12.6806]
_cell_length_b [3.3429]
_cell_length_c [7.4712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgSn2]
_chemical_formula_sum '[Mg4 Sn8]'
_cell_volume [311.7935]
_cell_formula_units_Z [4]
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  0.0596  0.0000  0.6230  1.0
  Mg  Mg1  2  0.3796  0.0000  0.2616  1.0
  Sn  Sn2  2  0.1677  0.5000  0.3498  1.0
  Sn  Sn3  2  0.2179  0.5000  0.9354  1.0
  Sn  Sn4  2  0.3453  0.0000  0.6522  1.0
  Sn  Sn5  2  0.4965  0.5000  0.0112  1.0
]