data_SrNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   135.44
_cell_angle_beta   135.44
_cell_angle_gamma   64.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Sb
_chemical_formula_sum   'Sr1 Ni2 Sb1'
_cell_volume   79.64
_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  Sr3  1  0.0  0.0  0.62  1.0
  Ni  Ni0  1  0.0  0.08  0.31  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.08  0.0  0.31  1.0

data_SrNi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.47
_cell_angle_alpha   112.28
_cell_angle_beta   112.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Sb
_chemical_formula_sum   'Sr1 Ni2 Sb1'
_cell_volume   79.64
_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  0.62  0.62  0.62  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.24  0.31  0.24  1.0
  Sb  Sb3  1  0.31  0.24  0.24  1.0

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