data_HgBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBRu2
_chemical_formula_sum   'Hg1 B1 Ru2'
_cell_volume   57.21
_cell_formula_units_Z   1
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  Hg1  1  0.0  0.0  0.93  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.49  0.0  0.44  1.0
  Ru  Ru3  1  0.49  0.0  0.42  1.0

data_HgBRu2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.86
_cell_length_b   7.86
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   116.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   HgBRu2
_chemical_formula_sum   'Hg1 B1 Ru2'
_cell_volume   57.21
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.07  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.5  0.56  0.0  1.0
  Ru  Ru3  1  0.5  0.58  0.0  1.0

Hg B Ru Ru