data_[Mg1Si4Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.6409]
_cell_length_b [6.6409]
_cell_length_c [3.5294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg(Si2Ni3)2]
_chemical_formula_sum '[Mg1 Si4 Ni6]'
_cell_volume [134.7982]
_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  1  0.0000  0.0000  0.0000  1.0
  Si  Si1  3  0.3810  0.1905  0.5000  1.0
  Si  Si2  1  0.3333  0.6667  0.0000  1.0
  Ni  Ni3  3  0.2014  0.4028  0.5000  1.0
  Ni  Ni4  3  0.5350  0.0700  0.0000  1.0
]