data_[Sc4Ga2Ni12]
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 [C2/m]
_cell_length_a [8.6397]
_cell_length_b [5.1161]
_cell_length_c [5.7066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2GaNi6]
_chemical_formula_sum '[Sc4 Ga2 Ni12]'
_cell_volume [245.5896]
_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  4  0.1476  0.5000  0.8500  1
  Ga  Ga1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  8  0.1311  0.2647  0.3332  1
  Ni  Ni3  4  0.1240  0.0000  0.6774  1
]