data_Ni2MoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.22
_cell_angle_alpha   97.54
_cell_angle_beta   97.54
_cell_angle_gamma   38.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2MoPb
_chemical_formula_sum   'Ni2 Mo1 Pb1'
_cell_volume   64.91
_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
  Ni  Ni1  1  0.61  0.0  0.18  1.0
  Ni  Ni2  1  0.11  0.0  0.99  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.86  0.0  0.58  1.0

data_Ni2MoPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.48
_cell_length_c   5.22
_cell_angle_alpha   97.54
_cell_angle_beta   90.0
_cell_angle_gamma   109.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2MoPb
_chemical_formula_sum   'Ni2 Mo1 Pb1'
_cell_volume   64.91
_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
  Ni  Ni0  1  0.0  0.39  0.82  1.0
  Ni  Ni1  1  0.0  0.89  0.01  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.14  0.42  1.0

Ni Ni Mo Pb
Ni Ni Mo Pb 0 1 o o - 0 1 + o - 0 2 + o o 0 3 o o o 1 2 o o + 1 3 - o o 2 3 - o - 