data_[Nd12P4Au2Br6]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1762]
_cell_length_b [4.1871]
_cell_length_c [8.8780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6P2AuBr3]
_chemical_formula_sum '[Nd12 P4 Au2 Br6]'
_cell_volume [683.2944]
_cell_formula_units_Z [2]
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  4  0.0120  0.0000  0.2319  1.0
  Nd  Nd1  4  0.1649  0.5000  0.1175  1.0
  Nd  Nd2  4  0.1778  0.5000  0.5548  1.0
  P  P3  4  0.1679  0.0000  0.3338  1.0
  Au  Au4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1649  0.0000  0.8273  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]