data_[Hg4Mo6O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9335]
_cell_length_b [9.5790]
_cell_length_c [9.9950]
_cell_angle_alpha [116.5343]
_cell_angle_beta [91.1626]
_cell_angle_gamma [102.5492]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hg2Mo3O10]
_chemical_formula_sum '[Hg4 Mo6 O20]'
_cell_volume [491.6115]
_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
[
  Hg  Hg0  1  0.2782  0.4564  0.4215  1
  Hg  Hg1  1  0.4729  0.8830  0.2687  1
  Hg  Hg2  1  0.4942  0.9537  0.6485  1
  Hg  Hg3  1  0.6391  0.3666  0.4810  1
  Mo  Mo4  1  0.0501  0.1571  0.5702  1
  Mo  Mo5  1  0.2455  0.4248  0.0142  1
  Mo  Mo6  1  0.2494  0.0245  0.0313  1
  Mo  Mo7  1  0.7880  0.0818  0.0244  1
  Mo  Mo8  1  0.8203  0.6612  0.9734  1
  Mo  Mo9  1  0.8856  0.7334  0.4245  1
  O  O10  1  0.0064  0.9743  0.8789  1
  O  O11  1  0.0094  0.5224  0.9699  1
  O  O12  1  0.0781  0.1344  0.1773  1
  O  O13  1  0.1145  0.9123  0.5576  1
  O  O14  1  0.1359  0.2545  0.7690  1
  O  O15  1  0.1661  0.8307  0.0338  1
  O  O16  1  0.2915  0.5585  0.2074  1
  O  O17  1  0.2995  0.1327  0.4749  1
  O  O18  1  0.3359  0.2586  0.0168  1
  O  O19  1  0.4902  0.9820  0.8782  1
  O  O20  1  0.5173  0.5269  0.9636  1
  O  O21  1  0.5431  0.1182  0.1636  1
  O  O22  1  0.6124  0.7159  0.4977  1
  O  O23  1  0.7322  0.8565  0.0520  1
  O  O24  1  0.7565  0.0015  0.4999  1
  O  O25  1  0.8040  0.6165  0.7863  1
  O  O26  1  0.8527  0.7211  0.2404  1
  O  O27  1  0.8948  0.2712  0.0285  1
  O  O28  1  0.9637  0.3100  0.5348  1
  O  O29  1  0.9723  0.5596  0.4118  1
]