data_[Nd24Co3Ni9Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1215]
_cell_length_b [8.1215]
_cell_length_c [23.2656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8CoNi3Br4]
_chemical_formula_sum '[Nd24 Co3 Ni9 Br12]'
_cell_volume [1328.9906]
_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  0.0053  0.5026  0.2311  1
  Nd  Nd1  6  0.0000  0.0000  0.2310  1
  Co  Co2  3  0.0000  0.0000  0.5000  1
  Ni  Ni3  9  0.0000  0.5000  0.5000  1
  Br  Br4  9  0.0000  0.5000  0.0000  1
  Br  Br5  3  -0.0000  -0.0000  0.0000  1
]