data_[K4Hg4Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/m]
_cell_length_a [12.5181]
_cell_length_b [7.1499]
_cell_length_c [7.9713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KHgMoO4]
_chemical_formula_sum '[K4 Hg4 Mo4 O16]'
_cell_volume [703.6329]
_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
[
  K  K0  4  0.2039  0.5000  0.8518  1.0
  Hg  Hg1  4  0.1031  0.0000  0.4985  1.0
  Mo  Mo2  4  0.1395  0.5000  0.2775  1.0
  O  O3  8  0.1685  0.3004  0.1595  1.0
  O  O4  4  0.0017  0.5000  0.2996  1.0
  O  O5  4  0.2286  0.5000  0.4957  1.0
]