data_[Nd12As2Pt4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4519]
_cell_length_b [12.8878]
_cell_length_c [7.8505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6AsPt2Br3]
_chemical_formula_sum '[Nd12 As2 Pt4 Br6]'
_cell_volume [715.1049]
_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  8  0.2426  0.1731  0.2043  1
  Nd  Nd1  4  0.2215  0.5000  0.2031  1
  As  As2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0000  0.3326  0.0000  1
  Br  Br4  4  0.0000  0.1587  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]