data_[Nd6Ga6Pt6Br6]
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
  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 [4.2979]
_cell_length_b [4.2979]
_cell_length_c [41.5365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NdGaPtBr]
_chemical_formula_sum '[Nd6 Ga6 Pt6 Br6]'
_cell_volume [664.4546]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.0794  1.0
  Ga  Ga1  6  0.0000  0.0000  0.3095  1.0
  Pt  Pt2  6  0.0000  0.0000  0.3720  1.0
  Br  Br3  6  0.0000  0.0000  0.2094  1.0
]