data_[Mg3Ni4Sn2]
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 [P-3m1]
_cell_length_a [4.3588]
_cell_length_b [4.3588]
_cell_length_c [8.3452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Mg3(Ni2Sn)2]
_chemical_formula_sum '[Mg3 Ni4 Sn2]'
_cell_volume [137.3112]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.4247  1.0
  Mg  Mg1  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.3379  1.0
  Ni  Ni3  2  0.3333  0.6667  0.1122  1.0
  Sn  Sn4  2  0.3333  0.6667  0.7922  1.0
]