data_[Si2Ni16As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8729]
_cell_length_b [3.7985]
_cell_length_c [5.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si(Ni4As)2]
_chemical_formula_sum '[Si2 Ni16 As4]'
_cell_volume [259.1882]
_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
[
  Si  Si0  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni1  4  0.0281  0.0000  0.8014  1.0
  Ni  Ni2  4  0.0893  0.5000  0.4428  1.0
  Ni  Ni3  4  0.1688  0.5000  0.9352  1.0
  Ni  Ni4  4  0.1818  0.0000  0.2674  1.0
  As  As5  4  0.1790  0.0000  0.6719  1.0
]