data_Sr2NiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   133.53
_cell_angle_beta   122.46
_cell_angle_gamma   76.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiPb
_chemical_formula_sum   'Sr2 Ni1 Pb1'
_cell_volume   122.12
_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
  Sr  Sr2  1  0.33  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.84  0.61  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.62  1.0

data_Sr2NiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   5.68
_cell_length_c   5.9
_cell_angle_alpha   118.77
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiPb
_chemical_formula_sum   'Sr2 Ni1 Pb1'
_cell_volume   122.12
_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
  Sr  Sr0  1  0.0  0.0  0.68  1.0
  Sr  Sr1  1  0.16  0.77  0.77  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.62  0.62  1.0

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