data_CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   4.14
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   106.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSb
_chemical_formula_sum   'Cr2 Sb2'
_cell_volume   80.39
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.09  0.11  0.68  1.0
  Cr  Cr1  1  0.97  0.04  0.65  1.0
  Sb  Sb2  1  0.79  0.11  0.19  1.0
  Sb  Sb3  1  0.28  0.04  0.14  1.0

data_CrSb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.64
_cell_length_b   4.14
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   106.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrSb
_chemical_formula_sum   'Cr2 Sb2'
_cell_volume   80.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
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
  Cr  Cr0  2  0.06  0.04  0.52  1.0
  Sb  Sb1  2  0.25  0.96  0.97  1.0

Cr Cr Sb Sb