data_NiSb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   149.91
_cell_angle_beta   128.65
_cell_angle_gamma   60.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Pb
_chemical_formula_sum   'Ni1 Sb2 Pb1'
_cell_volume   97.49
_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  0.0  0.0  1.0
  Sb  Sb2  1  0.64  0.0  0.01  1.0
  Sb  Sb3  1  0.0  0.73  0.43  1.0
  Pb  Pb1  1  0.0  0.0  0.45  1.0

data_NiSb2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.47
_cell_length_c   6.31
_cell_angle_alpha   115.67
_cell_angle_beta   105.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Pb
_chemical_formula_sum   'Ni1 Sb2 Pb1'
_cell_volume   97.49
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.57  0.3  0.3  1.0
  Sb  Sb2  1  0.63  0.99  0.63  1.0
  Pb  Pb3  1  0.55  0.55  0.55  1.0

Ni Sb Sb Pb