data_[Nb2Hg2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9300]
_cell_length_b [5.3192]
_cell_length_c [8.6264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbHg(PO4)2]
_chemical_formula_sum '[Nb2 Hg2 P4 O16]'
_cell_volume [406.2068]
_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
[
  Nb  Nb0  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  P  P2  4  0.1822  0.5000  0.2022  1.0
  O  O3  8  0.0827  0.2651  0.1520  1.0
  O  O4  4  0.1879  0.0000  0.9034  1.0
  O  O5  4  0.2378  0.5000  0.3745  1.0
]