data_NbRuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36
_cell_length_b   9.36
_cell_length_c   9.36
_cell_angle_alpha   17.23
_cell_angle_beta   17.23
_cell_angle_gamma   17.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRuPt2
_chemical_formula_sum   'Nb1 Ru1 Pt2'
_cell_volume   62.81
_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  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.83  1.0
  Pt  Pt1  1  0.0  0.0  0.78  1.0
  Pt  Pt2  1  0.0  0.0  0.88  1.0

data_NbRuPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   2.8
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   99.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbRuPt2
_chemical_formula_sum   'Nb2 Ru2 Pt4'
_cell_volume   125.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.0  0.0  0.17  1.0
  Pt  Pt2  2  0.0  0.0  0.12  1.0
  Pt  Pt3  2  0.0  0.0  0.22  1.0

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