data_[Li4Hg4Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [11.2428]
_cell_length_b [6.1174]
_cell_length_c [7.6045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHgMoO4]
_chemical_formula_sum '[Li4 Hg4 Mo4 O16]'
_cell_volume [511.9488]
_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
[
  Li  Li0  4  0.2123  0.5000  0.8054  1.0
  Hg  Hg1  4  0.1131  0.0000  0.4894  1.0
  Mo  Mo2  4  0.1240  0.5000  0.2501  1.0
  O  O3  8  0.1803  0.2600  0.1631  1.0
  O  O4  4  0.0368  0.5000  0.7852  1.0
  O  O5  4  0.1922  0.5000  0.4992  1.0
]