data_[Y8Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3666]
_cell_length_b [3.6544]
_cell_length_c [8.0241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Ni]
_chemical_formula_sum '[Y8 Ni4]'
_cell_volume [294.3958]
_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  0.0870  0.5000  0.8887  1.0
  Y  Y1  4  0.1667  0.0000  0.5748  1.0
  Ni  Ni2  4  0.1236  0.0000  0.1842  1.0
]