data_[Mn1Nb1Hg2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4309]
_cell_length_b [5.5741]
_cell_length_c [5.6106]
_cell_angle_alpha [118.1048]
_cell_angle_beta [118.2669]
_cell_angle_gamma [90.0412]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnNb(HgO3)2]
_chemical_formula_sum '[Mn1 Nb1 Hg2 O6]'
_cell_volume [126.3581]
_cell_formula_units_Z [1]
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
[
  Mn  Mn0  1  0.5000  0.0000  0.5000  1.0
  Nb  Nb1  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.2527  0.2371  0.9908  1.0
  O  O3  2  0.1301  0.7366  0.9625  1.0
  O  O4  2  0.2695  0.2594  0.6055  1.0
  O  O5  2  0.3410  0.7662  0.5988  1.0
]