data_Nb2ZnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.49
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   97.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnRu
_chemical_formula_sum   'Nb2 Zn1 Ru1'
_cell_volume   64.57
_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  0.18  0.25  0.79  1.0
  Nb  Nb1  1  0.0  0.0  0.48  1.0
  Zn  Zn3  1  0.61  0.0  0.87  1.0
  Ru  Ru2  1  0.86  0.25  0.3  1.0

data_Nb2ZnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.49
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   97.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnRu
_chemical_formula_sum   'Nb2 Zn1 Ru1'
_cell_volume   64.57
_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  0.0  0.0  0.48  1.0
  Nb  Nb1  1  0.18  0.25  0.79  1.0
  Zn  Zn2  1  0.61  0.0  0.87  1.0
  Ru  Ru3  1  0.86  0.25  0.3  1.0

Nb Nb Zn Ru
Nb Nb Zn Ru 0 1 o o o 0 2 - o o 0 2 o o o 1 3 - o o 