data_[Hg3As3Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8689]
_cell_length_b [2.8689]
_cell_length_c [31.2634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [HgAsRu2]
_chemical_formula_sum '[Hg3 As3 Ru6]'
_cell_volume [222.8418]
_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
[
  Hg  Hg0  3  0.0000  0.0000  0.2657  1
  As  As1  3  0.0000  0.0000  0.4746  1
  Ru  Ru2  3  0.0000  0.0000  0.0130  1
  Ru  Ru3  3  0.0000  0.0000  0.7466  1
]