data_TaGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.28
_cell_angle_alpha   109.29
_cell_angle_beta   109.29
_cell_angle_gamma   36.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaRu2
_chemical_formula_sum   'Ta1 Ga1 Ru2'
_cell_volume   60.32
_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
  Ta  Ta3  1  0.99  0.0  0.17  1.0
  Ga  Ga0  1  0.8  0.0  0.82  1.0
  Ru  Ru1  1  0.97  0.0  0.2  1.0
  Ru  Ru2  1  0.31  0.0  0.84  1.0

data_TaGaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.28
_cell_length_c   5.02
_cell_angle_alpha   109.29
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaRu2
_chemical_formula_sum   'Ta1 Ga1 Ru2'
_cell_volume   60.32
_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
  Ta  Ta0  1  0.0  0.17  0.99  1.0
  Ga  Ga1  1  0.0  0.82  0.8  1.0
  Ru  Ru2  1  0.0  0.2  0.97  1.0
  Ru  Ru3  1  0.0  0.84  0.31  1.0

Ta Ga Ru Ru