data_[Nd8Er2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5343]
_cell_length_b [8.5574]
_cell_length_c [8.9710]
_cell_angle_alpha [108.3581]
_cell_angle_beta [105.9884]
_cell_angle_gamma [103.7050]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd4ErHg2]
_chemical_formula_sum '[Nd8 Er2 Hg4]'
_cell_volume [427.9165]
_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  0.2286  0.4363  0.8377  1.0
  Nd  Nd1  1  0.2889  0.6071  0.2995  1.0
  Nd  Nd2  1  0.3220  0.0723  0.8653  1.0
  Nd  Nd3  1  0.4238  0.2358  0.3321  1.0
  Nd  Nd4  1  0.5148  0.7261  0.7326  1.0
  Nd  Nd5  1  0.7168  0.0433  0.5873  1.0
  Nd  Nd6  1  0.8974  0.6447  0.5651  1.0
  Nd  Nd7  1  0.9010  0.1718  0.0172  1.0
  Er  Er8  1  0.0550  0.7914  0.0338  1.0
  Er  Er9  1  0.6431  0.8749  0.1700  1.0
  Hg  Hg10  1  0.1343  0.9456  0.4449  1.0
  Hg  Hg11  1  0.6898  0.5012  0.1562  1.0
  Hg  Hg12  1  0.7011  0.4129  0.7919  1.0
  Hg  Hg13  1  0.9833  0.2866  0.4164  1.0
]