data_NbRuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   145.35
_cell_angle_beta   136.93
_cell_angle_gamma   56.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRuPb
_chemical_formula_sum   'Nb1 Ru1 Pb1'
_cell_volume   55.97
_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  0.14  1.0
  Ru  Ru2  1  0.0  0.0  0.18  1.0
  Pb  Pb1  1  0.0  0.0  0.2  1.0

data_NbRuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.86
_cell_length_c   5.26
_cell_angle_alpha   111.53
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRuPb
_chemical_formula_sum   'Nb1 Ru1 Pb1'
_cell_volume   55.97
_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  0.14  0.14  1.0
  Ru  Ru1  1  0.0  0.18  0.18  1.0
  Pb  Pb2  1  0.0  0.2  0.2  1.0

Nb Ru Pb