data_[La28Nd2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.4316]
_cell_length_b [10.3500]
_cell_length_c [10.3535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La14NdHg]
_chemical_formula_sum '[La28 Nd2 Hg2]'
_cell_volume [1117.8430]
_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
[
  La  La0  8  0.2439  0.2439  0.3752  1
  La  La1  4  0.0000  0.2352  0.6200  1
  La  La2  4  0.2314  0.0000  0.1331  1
  La  La3  4  0.2569  0.0000  0.6210  1
  La  La4  4  0.5000  0.2424  0.1240  1
  La  La5  2  0.5000  0.0000  0.3722  1
  La  La6  2  0.5000  0.0000  0.8821  1
  Nd  Nd7  2  0.0000  0.0000  0.8731  1
  Hg  Hg8  2  0.0000  0.0000  0.3756  1
]