data_[Nd12Co2Hg4]
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 [P2_1/c]
_cell_length_a [7.2139]
_cell_length_b [7.3631]
_cell_length_c [12.6394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6CoHg2]
_chemical_formula_sum '[Nd12 Co2 Hg4]'
_cell_volume [557.9436]
_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  4  0.1583  0.2059  0.4557  1.0
  Nd  Nd1  4  0.2514  0.7010  0.4540  1.0
  Nd  Nd2  4  0.3494  0.0022  0.2510  1.0
  Co  Co3  2  0.5000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.2164  0.0703  0.7437  1.0
]