data_[Ga10Ni10]
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 [11.7169]
_cell_length_b [3.9852]
_cell_length_c [6.7361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaNi]
_chemical_formula_sum '[Ga10 Ni10]'
_cell_volume [264.0490]
_cell_formula_units_Z [10]
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  0.1264  0.5000  0.2456  1.0
  Ga  Ga1  4  0.1542  0.0000  0.8537  1.0
  Ga  Ga2  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni3  4  0.1034  0.0000  0.4471  1.0
  Ni  Ni4  4  0.2438  0.5000  0.7233  1.0
  Ni  Ni5  2  0.0000  0.0000  0.0000  1.0
]