data_SrZr2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   3.33
_cell_angle_alpha   104.37
_cell_angle_beta   104.37
_cell_angle_gamma   119.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Sb
_chemical_formula_sum   'Sr1 Zr2 Sb1'
_cell_volume   105.73
_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  Sr1  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.82  0.78  0.45  1.0
  Zr  Zr3  1  0.82  0.22  0.45  1.0
  Sb  Sb0  1  0.27  0.0  0.0  1.0

data_SrZr2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.71
_cell_length_c   6.45
_cell_angle_alpha   115.92
_cell_angle_beta   104.37
_cell_angle_gamma   91.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Sb
_chemical_formula_sum   'Sr1 Zr2 Sb1'
_cell_volume   105.73
_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  0.0  1.0
  Zr  Zr1  1  0.23  0.78  0.6  1.0
  Zr  Zr2  1  0.67  0.22  0.04  1.0
  Sb  Sb3  1  -0.0  0.0  0.27  1.0

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