data_[Si4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.6311]
_cell_length_b [12.0016]
_cell_length_c [4.1778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SiNi2]
_chemical_formula_sum '[Si4 Ni8]'
_cell_volume [131.9243]
_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
[
  Si  Si0  4  0.0000  0.1512  0.4245  1
  Ni  Ni1  4  0.5000  0.1842  0.9286  1
  Ni  Ni2  2  0.0000  0.0000  0.7624  1
  Ni  Ni3  2  0.5000  0.0000  0.2476  1
]