data_[Sr2Si6Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1840]
_cell_length_b [4.1840]
_cell_length_c [9.9677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [SrSi3Ni]
_chemical_formula_sum '[Sr2 Si6 Ni2]'
_cell_volume [174.4924]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.5990  1.0
  Si  Si1  4  0.0000  0.5000  0.3496  1.0
  Si  Si2  2  0.0000  0.0000  0.0034  1.0
  Ni  Ni3  2  0.0000  0.0000  0.2441  1.0
]