data_[Sc6Ga4Ni8]
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 [8.7733]
_cell_length_b [4.0597]
_cell_length_c [7.8672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3(GaNi2)2]
_chemical_formula_sum '[Sc6 Ga4 Ni8]'
_cell_volume [279.2122]
_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  0.1298  0.5000  0.3899  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1756  0.5000  0.7806  1.0
  Ni  Ni3  4  0.0784  0.0000  0.6330  1.0
  Ni  Ni4  4  0.2199  0.5000  0.0883  1.0
]