data_[Nd4Si4Hg4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6266]
_cell_length_b [6.3170]
_cell_length_c [7.0148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSiHgO4]
_chemical_formula_sum '[Nd4 Si4 Hg4 O16]'
_cell_volume [505.1928]
_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  4  0.1952  0.5000  0.8484  1.0
  Si  Si1  4  0.1373  0.5000  0.2651  1.0
  Hg  Hg2  4  0.1093  0.0000  0.4921  1.0
  O  O3  8  0.1842  0.2973  0.1499  1.0
  O  O4  4  0.0020  0.5000  0.7435  1.0
  O  O5  4  0.2060  0.5000  0.4992  1.0
]