data_[Nd36Ga18C3]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9977]
_cell_length_b [11.9977]
_cell_length_c [13.2064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12Ga6C]
_chemical_formula_sum '[Nd36 Ga18 C3]'
_cell_volume [1646.3043]
_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
[
  Nd  Nd0  18  0.0366  0.8390  0.3871  1.0
  Nd  Nd1  18  0.0404  0.1869  0.8869  1.0
  Ga  Ga2  18  0.0075  0.6031  0.2574  1.0
  C  C3  3  0.0000  0.0000  0.0000  1.0
]