data_[Sc16In2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1723]
_cell_length_b [12.4848]
_cell_length_c [4.8172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8InNi2]
_chemical_formula_sum '[Sc16 In2 Ni4]'
_cell_volume [476.8247]
_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  8  0.2003  0.1275  0.0760  1.0
  Sc  Sc1  4  0.0000  0.2500  0.5000  1.0
  Sc  Sc2  4  0.1090  0.5000  0.3016  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni4  4  0.0000  0.3117  0.0000  1.0
]