data_[Sc2Ga10Ni14]
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 [Imm2]
_cell_length_a [5.0488]
_cell_length_b [8.4784]
_cell_length_c [8.0641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [ScGa5Ni7]
_chemical_formula_sum '[Sc2 Ga10 Ni14]'
_cell_volume [345.1913]
_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  0.0000  0.0075  1
  Ga  Ga1  8  0.2474  0.2629  0.7458  1
  Ga  Ga2  2  0.0000  0.5000  0.2931  1
  Ni  Ni3  4  0.0000  0.2759  0.4931  1
  Ni  Ni4  4  0.0000  0.3523  0.0029  1
  Ni  Ni5  2  0.0000  0.0000  0.3536  1
  Ni  Ni6  2  0.0000  0.0000  0.6620  1
  Ni  Ni7  2  0.0000  0.5000  0.7087  1
]