data_[Mg3Ni3Sn3]
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 [P3_212]
_cell_length_a [4.9108]
_cell_length_b [4.9108]
_cell_length_c [7.5303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [153]
_chemical_formula_structural [MgNiSn]
_chemical_formula_sum '[Mg3 Ni3 Sn3]'
_cell_volume [157.2705]
_cell_formula_units_Z [3]
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  3  0.2731  0.1365  0.5000  1
  Ni  Ni1  3  0.2007  0.7993  0.1667  1
  Sn  Sn2  3  0.5215  0.0430  0.8333  1
]