data_[Sr8Si8Ni4]
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 [C2/m]
_cell_length_a [11.5985]
_cell_length_b [4.2072]
_cell_length_c [10.7669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Si2Ni]
_chemical_formula_sum '[Sr8 Si8 Ni4]'
_cell_volume [478.4584]
_cell_formula_units_Z [4]
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  4  0.1108  0.0000  0.8996  1.0
  Sr  Sr1  4  0.2154  0.5000  0.6475  1.0
  Si  Si2  4  0.0351  0.0000  0.4100  1.0
  Si  Si3  4  0.0914  0.5000  0.1144  1.0
  Ni  Ni4  4  0.0528  0.5000  0.3141  1.0
]