data_[Nd8Tm2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5502]
_cell_length_b [8.5056]
_cell_length_c [9.0283]
_cell_angle_alpha [108.3900]
_cell_angle_beta [107.2583]
_cell_angle_gamma [102.9217]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd4TmHg2]
_chemical_formula_sum '[Nd8 Tm2 Hg4]'
_cell_volume [426.9830]
_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  1  0.1550  0.9570  0.8598  1.0
  Nd  Nd1  1  0.3136  0.5787  0.8841  1.0
  Nd  Nd2  1  0.3142  0.0980  0.3366  1.0
  Nd  Nd3  1  0.5030  0.7143  0.2995  1.0
  Nd  Nd4  1  0.5462  0.8746  0.7154  1.0
  Nd  Nd5  1  0.7893  0.5074  0.5582  1.0
  Nd  Nd6  1  0.9295  0.1340  0.5911  1.0
  Nd  Nd7  1  0.9946  0.3268  0.0722  1.0
  Tm  Tm8  1  0.7036  0.0261  0.1613  1.0
  Tm  Tm9  1  0.8889  0.6849  0.0204  1.0
  Hg  Hg10  1  0.0526  0.7750  0.4088  1.0
  Hg  Hg11  1  0.2258  0.4520  0.4802  1.0
  Hg  Hg12  1  0.5285  0.3403  0.1128  1.0
  Hg  Hg13  1  0.5552  0.2809  0.7495  1.0
]