data_SrZrSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   8.0
_cell_angle_alpha   31.18
_cell_angle_beta   31.18
_cell_angle_gamma   31.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrSb2
_chemical_formula_sum   'Sr1 Zr1 Sb2'
_cell_volume   121.7
_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  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.4  1.0
  Sb  Sb0  1  0.0  0.0  0.37  1.0
  Sb  Sb1  1  0.0  0.0  0.44  1.0

data_SrZrSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.45
_cell_length_b   4.3
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   108.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZrSb2
_chemical_formula_sum   'Sr2 Zr2 Sb4'
_cell_volume   243.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.0  0.0  0.6  1.0
  Sb  Sb2  2  0.0  0.0  0.56  1.0
  Sb  Sb3  2  0.0  0.0  0.63  1.0

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