data_[Nd24P3Pt9Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4807]
_cell_length_b [8.4807]
_cell_length_c [22.6527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8PPt3Br4]
_chemical_formula_sum '[Nd24 P3 Pt9 Br12]'
_cell_volume [1410.9691]
_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  0.0022  0.5011  0.2654  1
  Nd  Nd1  6  0.0000  0.0000  0.2677  1
  P  P2  3  -0.0000  -0.0000  0.0000  1
  Pt  Pt3  9  0.0000  0.5000  0.0000  1
  Br  Br4  9  0.0000  0.5000  0.5000  1
  Br  Br5  3  -0.0000  -0.0000  0.5000  1
]