data_[Nd36In18Co3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.4712]
_cell_length_b [12.4712]
_cell_length_c [13.5574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12In6Co]
_chemical_formula_sum '[Nd36 In18 Co3]'
_cell_volume [1826.1002]
_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  0.0384  0.8474  0.3890  1
  Nd  Nd1  18  0.0419  0.1877  0.8733  1
  In  In2  18  0.0037  0.6019  0.2604  1
  Co  Co3  3  0.0000  0.0000  0.0000  1
]