data_[Ga2Si4Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [12.6014]
_cell_length_b [3.6421]
_cell_length_c [5.7066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga(SiNi4)2]
_chemical_formula_sum '[Ga2 Si4 Ni16]'
_cell_volume [246.1161]
_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
[
  Ga  Ga0  2  0.0000  0.5000  0.0000  1.0
  Si  Si1  4  0.2081  0.0000  0.6696  1.0
  Ni  Ni2  4  0.0363  0.0000  0.7318  1.0
  Ni  Ni3  4  0.1003  0.5000  0.4687  1.0
  Ni  Ni4  4  0.1621  0.0000  0.2345  1.0
  Ni  Ni5  4  0.1768  0.5000  0.9271  1.0
]