data_Ga2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.61
_cell_angle_alpha   96.73
_cell_angle_beta   96.73
_cell_angle_gamma   37.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AsRu
_chemical_formula_sum   'Ga2 As1 Ru1'
_cell_volume   63.93
_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  1.0  0.0  0.04  1.0
  Ga  Ga2  1  0.74  0.0  0.21  1.0
  As  As0  1  0.64  0.0  0.34  1.0
  Ru  Ru3  1  0.33  0.0  0.27  1.0

data_Ga2AsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.61
_cell_length_c   4.77
_cell_angle_alpha   96.73
_cell_angle_beta   108.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AsRu
_chemical_formula_sum   'Ga2 As1 Ru1'
_cell_volume   63.93
_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  0.04  1.0  1.0
  Ga  Ga1  1  0.0  0.21  0.74  1.0
  As  As2  1  0.0  0.34  0.64  1.0
  Ru  Ru3  1  0.0  0.27  0.33  1.0

Ga Ga As Ru
Ga Ga As Ru 0 1 o o o 0 3 + o o 1 2 o o o 2 3 o o o 