data_Ga2AgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   138.01
_cell_angle_beta   138.01
_cell_angle_gamma   60.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AgRu
_chemical_formula_sum   'Ga2 Ag1 Ru1'
_cell_volume   61.74
_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  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.86  0.0  0.24  1.0
  Ag  Ag0  1  0.0  0.86  0.24  1.0
  Ru  Ru3  1  0.0  0.0  0.47  1.0

data_Ga2AgRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   5.19
_cell_angle_alpha   111.0
_cell_angle_beta   111.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AgRu
_chemical_formula_sum   'Ga2 Ag1 Ru1'
_cell_volume   61.74
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.76  0.0  0.62  1.0
  Ag  Ag2  1  0.62  0.86  0.62  1.0
  Ru  Ru3  1  0.53  0.0  0.53  1.0

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