data_[Ag3Hg3Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8528]
_cell_length_b [2.8528]
_cell_length_c [30.0169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AgHgMo2]
_chemical_formula_sum '[Ag3 Hg3 Mo6]'
_cell_volume [211.5577]
_cell_formula_units_Z [3]
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
[
  Ag  Ag0  3  0.0000  0.0000  0.5026  1
  Hg  Hg1  3  0.0000  0.0000  0.7494  1
  Mo  Mo2  3  0.0000  0.0000  0.2512  1
  Mo  Mo3  3  0.0000  0.0000  0.9968  1
]