data_[Yb4Al4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1555]
_cell_length_b [4.1443]
_cell_length_c [5.0554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YbAlNi]
_chemical_formula_sum '[Yb4 Al4 Ni4]'
_cell_volume [229.4417]
_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
[
  Yb  Yb0  4  0.1248  0.0000  0.3200  1.0
  Al  Al1  4  0.0943  0.5000  0.8164  1.0
  Ni  Ni2  4  0.2061  0.0000  0.8733  1.0
]