data_[Sc2Ni10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9946]
_cell_length_b [3.6750]
_cell_length_c [5.1232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScNi5]
_chemical_formula_sum '[Sc2 Ni10]'
_cell_volume [143.7365]
_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  0.5000  1.0
  Ni  Ni1  4  0.1628  0.0000  0.3109  1.0
  Ni  Ni2  4  0.1773  0.0000  0.8437  1.0
  Ni  Ni3  2  0.0000  0.5000  0.0000  1.0
]