data_[Nd16Co4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8529]
_cell_length_b [13.9808]
_cell_length_c [6.1186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4CoHg]
_chemical_formula_sum '[Nd16 Co4 Hg4]'
_cell_volume [685.1925]
_cell_formula_units_Z [4]
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  8  0.1163  0.1837  0.5801  1.0
  Nd  Nd1  8  0.2336  0.4329  0.8408  1.0
  Co  Co2  4  0.0000  0.0035  0.7500  1.0
  Hg  Hg3  4  0.0000  0.3789  0.2500  1.0
]