data_[Ga8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8500]
_cell_length_b [2.9581]
_cell_length_c [4.0930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaNi]
_chemical_formula_sum '[Ga8 Ni8]'
_cell_volume [202.3885]
_cell_formula_units_Z [8]
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  4  0.0628  0.0000  0.7971  1.0
  Ga  Ga1  4  0.1836  0.0000  0.3585  1.0
  Ni  Ni2  4  0.0606  0.5000  0.2989  1.0
  Ni  Ni3  4  0.1845  0.5000  0.8624  1.0
]