data_[Sc2Ga4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7296]
_cell_length_b [3.7296]
_cell_length_c [10.7744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Sc(GaNi)2]
_chemical_formula_sum '[Sc2 Ga4 Ni4]'
_cell_volume [149.8715]
_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
[
  Sc  Sc0  2  0.0000  0.5000  0.7411  1.0
  Ga  Ga1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.5000  0.1366  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  2  0.0000  0.5000  0.3521  1.0
]