data_[Mg6Si10Ni12]
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 [Pmmn]
_cell_length_a [3.8822]
_cell_length_b [11.7540]
_cell_length_c [8.1745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Mg3Si5Ni6]
_chemical_formula_sum '[Mg6 Si10 Ni12]'
_cell_volume [373.0107]
_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  4  0.0000  0.3070  0.7568  1
  Mg  Mg1  2  0.0000  0.0000  0.7675  1
  Si  Si2  4  0.0000  0.1156  0.4702  1
  Si  Si3  4  0.0000  0.3404  0.1397  1
  Si  Si4  2  0.0000  0.0000  0.1954  1
  Ni  Ni5  4  0.0000  0.1596  0.0117  1
  Ni  Ni6  4  0.0000  0.3117  0.4207  1
  Ni  Ni7  2  0.0000  0.5000  0.5931  1
  Ni  Ni8  2  0.0000  0.5000  0.9690  1
]