data_[Sr4Si8Ni12]
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 [14.4225]
_cell_length_b [3.9020]
_cell_length_c [7.2832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSi2Ni3]
_chemical_formula_sum '[Sr4 Si8 Ni12]'
_cell_volume [377.1051]
_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  0.1597  0.0000  0.0762  1.0
  Si  Si1  4  0.0182  0.5000  0.1837  1.0
  Si  Si2  4  0.1715  0.0000  0.6228  1.0
  Ni  Ni3  4  0.0260  0.0000  0.3523  1.0
  Ni  Ni4  4  0.0903  0.5000  0.6560  1.0
  Ni  Ni5  4  0.1802  0.5000  0.4316  1.0
]