data_[Ga4Ni4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7401]
_cell_length_b [2.8291]
_cell_length_c [6.9138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaNiPd3]
_chemical_formula_sum '[Ga4 Ni4 Pd12]'
_cell_volume [280.3694]
_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
[
  Ga  Ga0  4  0.0192  0.5000  0.2610  1.0
  Ni  Ni1  4  0.2152  0.5000  0.8622  1.0
  Pd  Pd2  4  0.0964  0.0000  0.0063  1.0
  Pd  Pd3  4  0.0982  0.0000  0.5884  1.0
  Pd  Pd4  4  0.1969  0.5000  0.3440  1.0
]