data_[Mg2Ni2Sn12]
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 [C2/m]
_cell_length_a [6.6045]
_cell_length_b [10.9576]
_cell_length_c [6.0889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgNiSn6]
_chemical_formula_sum '[Mg2 Ni2 Sn12]'
_cell_volume [403.7001]
_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
  Ni  Ni1  2  0.0000  0.0000  0.5000  1
  Sn  Sn2  8  0.0613  0.2174  0.7593  1
  Sn  Sn3  4  0.0768  0.5000  0.2865  1
]