data_NbGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   136.94
_cell_angle_beta   136.94
_cell_angle_gamma   62.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaRu2
_chemical_formula_sum   'Nb1 Ga1 Ru2'
_cell_volume   59.96
_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
  Nb  Nb1  1  0.86  0.0  0.17  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.33  1.0
  Ru  Ru3  1  0.0  0.86  0.17  1.0

data_NbGaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   5.07
_cell_angle_alpha   111.53
_cell_angle_beta   111.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaRu2
_chemical_formula_sum   'Nb1 Ga1 Ru2'
_cell_volume   59.96
_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
  Nb  Nb0  1  0.83  0.0  0.69  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.67  0.0  0.67  1.0
  Ru  Ru3  1  0.69  0.86  0.69  1.0

Nb Ga Ru Ru