data_GaHgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.55
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgRu2
_chemical_formula_sum   'Ga1 Hg1 Ru2'
_cell_volume   67.09
_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
  Ga  Ga0  1  0.97  0.0  0.01  1.0
  Hg  Hg1  1  0.31  0.78  0.14  1.0
  Ru  Ru2  1  0.79  0.0  0.31  1.0
  Ru  Ru3  1  0.38  0.78  0.6  1.0

data_GaHgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.55
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgRu2
_chemical_formula_sum   'Ga1 Hg1 Ru2'
_cell_volume   67.09
_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
  Ga  Ga0  1  0.97  0.0  0.01  1.0
  Hg  Hg1  1  0.31  0.78  0.14  1.0
  Ru  Ru2  1  0.38  0.78  0.6  1.0
  Ru  Ru3  1  0.79  0.0  0.31  1.0

Ga Hg Ru Ru
Ga Hg Ru Ru 0 1 + - o 0 2 o o o 0 3 + - - 1 2 o + o 1 2 - + o 1 3 o o o 2 3 + - o 2 3 o - o 3 3 + o o 