data_[Nd4Ga16Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2457]
_cell_length_b [15.7354]
_cell_length_c [6.6229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdGa4Cu]
_chemical_formula_sum '[Nd4 Ga16 Cu4]'
_cell_volume [442.4592]
_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  0.3855  0.2500  1.0
  Ga  Ga1  8  0.0000  0.1835  0.0515  1.0
  Ga  Ga2  4  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0000  0.4252  0.7500  1.0
  Cu  Cu4  4  0.0000  0.2725  0.7500  1.0
]