data_[Y2Sc10Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5611]
_cell_length_b [13.7041]
_cell_length_c [6.3384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [YSc5Ni6]
_chemical_formula_sum '[Y2 Sc10 Ni12]'
_cell_volume [396.1863]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.3306  0.0000  1
  Sc  Sc2  4  0.0000  0.3338  0.5000  1
  Sc  Sc3  2  0.0000  0.0000  0.5000  1
  Ni  Ni4  8  0.0000  0.1727  0.2558  1
  Ni  Ni5  4  0.0000  0.5000  0.2674  1
]