data_Sr2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   7.56
_cell_angle_alpha   105.89
_cell_angle_beta   105.89
_cell_angle_gamma   55.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiSb
_chemical_formula_sum   'Sr2 Ni1 Sb1'
_cell_volume   130.86
_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  0.61  0.0  0.65  1.0
  Sr  Sr3  1  0.34  0.0  0.53  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.98  0.0  0.59  1.0

data_Sr2NiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.69
_cell_length_c   7.56
_cell_angle_alpha   105.89
_cell_angle_beta   90.0
_cell_angle_gamma   117.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiSb
_chemical_formula_sum   'Sr2 Ni1 Sb1'
_cell_volume   130.86
_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  0.39  0.35  1.0
  Sr  Sr1  1  0.0  0.66  0.47  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.02  0.41  1.0

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