data_[Nd8Sm2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0779]
_cell_length_b [9.1747]
_cell_length_c [9.2127]
_cell_angle_alpha [62.5518]
_cell_angle_beta [75.6529]
_cell_angle_gamma [75.4488]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd4SmHg2]
_chemical_formula_sum '[Nd8 Sm2 Hg4]'
_cell_volume [436.0353]
_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  0.1383  0.0983  0.1945  1.0
  Nd  Nd1  1  0.2225  0.2774  0.7471  1.0
  Nd  Nd2  1  0.2663  0.6561  0.4080  1.0
  Nd  Nd3  1  0.6044  0.4073  0.1729  1.0
  Nd  Nd4  1  0.6758  0.0779  0.5450  1.0
  Nd  Nd5  1  0.7179  0.1335  0.9434  1.0
  Nd  Nd6  1  0.7666  0.6275  0.7313  1.0
  Nd  Nd7  1  0.9405  0.6649  0.1469  1.0
  Sm  Sm8  1  0.1908  0.8810  0.6753  1.0
  Sm  Sm9  1  0.4391  0.8433  0.9758  1.0
  Hg  Hg10  1  0.1578  0.2775  0.4104  1.0
  Hg  Hg11  1  0.2690  0.4922  0.9161  1.0
  Hg  Hg12  1  0.6420  0.8884  0.3399  1.0
  Hg  Hg13  1  0.7190  0.4246  0.5435  1.0
]