data_Ga2BiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.54
_cell_angle_alpha   109.21
_cell_angle_beta   109.21
_cell_angle_gamma   38.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BiRu
_chemical_formula_sum   'Ga2 Bi1 Ru1'
_cell_volume   86.75
_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  Ga1  1  0.72  0.0  0.82  1.0
  Ga  Ga2  1  0.28  0.0  0.95  1.0
  Bi  Bi0  1  0.89  0.0  0.61  1.0
  Ru  Ru3  1  0.79  0.0  0.93  1.0

data_Ga2BiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.75
_cell_length_c   6.54
_cell_angle_alpha   109.21
_cell_angle_beta   90.0
_cell_angle_gamma   109.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BiRu
_chemical_formula_sum   'Ga2 Bi1 Ru1'
_cell_volume   86.75
_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  0.0  0.28  0.18  1.0
  Ga  Ga1  1  0.0  0.72  0.05  1.0
  Bi  Bi2  1  0.0  0.11  0.39  1.0
  Ru  Ru3  1  0.0  0.21  0.07  1.0

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