data_[Y4Ga4Ni20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8879]
_cell_length_b [4.8254]
_cell_length_c [9.9749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YGaNi5]
_chemical_formula_sum '[Y4 Ga4 Ni20]'
_cell_volume [379.6703]
_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  0.2461  0.2500  0.0595  1
  Ga  Ga1  4  0.1429  0.7500  0.8586  1
  Ni  Ni2  8  0.0658  0.0048  0.3060  1
  Ni  Ni3  4  0.0539  0.7500  0.0935  1
  Ni  Ni4  4  0.0943  0.2500  0.5171  1
  Ni  Ni5  4  0.1860  0.2500  0.7509  1
]