data_[Y4Sc12Ni8]
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 [C2/m]
_cell_length_a [14.4164]
_cell_length_b [4.7011]
_cell_length_c [7.6892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YSc3Ni2]
_chemical_formula_sum '[Y4 Sc12 Ni8]'
_cell_volume [476.7235]
_cell_formula_units_Z [4]
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  4  0.1350  0.0000  0.2146  1.0
  Sc  Sc1  4  0.0680  0.0000  0.7307  1.0
  Sc  Sc2  4  0.1248  0.5000  0.5100  1.0
  Sc  Sc3  4  0.1866  0.5000  0.9872  1.0
  Ni  Ni4  4  0.0004  0.5000  0.1550  1.0
  Ni  Ni5  4  0.2221  0.0000  0.6272  1.0
]