data_[Nd12As4P6Br2]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4105]
_cell_length_b [4.2077]
_cell_length_c [8.5147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6As2P3Br]
_chemical_formula_sum '[Nd12 As4 P6 Br2]'
_cell_volume [640.7567]
_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  0.0018  0.0000  0.7251  1.0
  Nd  Nd1  4  0.1660  0.5000  0.5856  1.0
  Nd  Nd2  4  0.1752  0.5000  0.0836  1.0
  As  As3  4  0.1651  0.0000  0.3290  1.0
  P  P4  4  0.1646  0.0000  0.8342  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  Br  Br6  2  0.0000  0.5000  0.0000  1.0
]