data_NbRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.9
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRu2Pt
_chemical_formula_sum   'Nb1 Ru2 Pt1'
_cell_volume   61.37
_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  0.78  1.0
  Ru  Ru2  1  0.0  0.0  0.15  1.0
  Ru  Ru3  1  0.4  0.95  0.29  1.0
  Pt  Pt1  1  0.4  0.95  0.23  1.0

data_NbRu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.9
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRu2Pt
_chemical_formula_sum   'Nb1 Ru2 Pt1'
_cell_volume   61.37
_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  0.78  1.0
  Ru  Ru1  1  0.0  0.0  0.15  1.0
  Ru  Ru2  1  0.4  0.95  0.29  1.0
  Pt  Pt3  1  0.4  0.95  0.23  1.0

Nb Ru Ru Pt
Nb Ru Ru Pt 0 1 o o + 1 3 o - o 1 2 o - o 2 3 o o o 