data_[Mg8Ni16Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.8051]
_cell_length_b [16.0592]
_cell_length_c [6.6309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Mg2Ni4Sn3]
_chemical_formula_sum '[Mg8 Ni16 Sn12]'
_cell_volume [618.1760]
_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  8  0.0000  0.0885  0.5946  1.0
  Ni  Ni1  8  0.0000  0.1586  0.9768  1.0
  Ni  Ni2  8  0.2500  0.0809  0.2500  1.0
  Sn  Sn3  8  0.2500  0.2424  0.2500  1.0
  Sn  Sn4  4  0.0000  0.0000  0.0000  1.0
]