data_[Nd4Ga16Co36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9699]
_cell_length_b [7.9699]
_cell_length_c [11.7094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [NdGa4Co9]
_chemical_formula_sum '[Nd4 Ga16 Co36]'
_cell_volume [743.7639]
_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
[
  Nd  Nd0  4  0.0000  0.0000  0.2500  1
  Ga  Ga1  16  0.1791  0.3209  0.1258  1
  Co  Co2  16  0.0619  0.8020  0.0000  1
  Co  Co3  16  0.1144  0.3856  0.3255  1
  Co  Co4  4  0.0000  0.5000  0.0000  1
]