data_[Rb1Nd1Hg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9492]
_cell_length_b [8.1563]
_cell_length_c [10.1332]
_cell_angle_alpha [112.6414]
_cell_angle_beta [93.1318]
_cell_angle_gamma [95.6285]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbNd(HgBr4)2]
_chemical_formula_sum '[Rb1 Nd1 Hg2 Br8]'
_cell_volume [524.8477]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4368  0.2594  0.2997  1.0
  Br  Br3  2  0.1679  0.7984  0.7360  1.0
  Br  Br4  2  0.2348  0.8757  0.1752  1.0
  Br  Br5  2  0.3074  0.3117  0.0757  1.0
  Br  Br6  2  0.4319  0.2966  0.5607  1.0
]