data_[Ce6Nd15Ga15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1746]
_cell_length_b [5.1746]
_cell_length_c [41.8080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2(NdGa)5]
_chemical_formula_sum '[Ce6 Nd15 Ga15]'
_cell_volume [969.4879]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  6  0.0000  0.0000  0.0716  1
  Nd  Nd1  6  0.0000  0.0000  0.6899  1
  Nd  Nd2  6  0.0000  0.0000  0.7803  1
  Nd  Nd3  3  -0.0000  -0.0000  0.5000  1
  Ga  Ga4  6  0.0000  0.0000  0.1431  1
  Ga  Ga5  6  0.0000  0.0000  0.4005  1
  Ga  Ga6  3  0.0000  0.0000  0.0000  1
]