data_CrSiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.28
_cell_angle_alpha   98.48
_cell_angle_beta   98.48
_cell_angle_gamma   96.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiSb2
_chemical_formula_sum   'Cr1 Si1 Sb2'
_cell_volume   78.43
_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
  Cr  Cr0  1  0.31  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.29  0.85  0.6  1.0
  Sb  Sb2  1  0.29  0.15  0.6  1.0

data_CrSiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   96.24
_cell_angle_beta   98.48
_cell_angle_gamma   98.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiSb2
_chemical_formula_sum   'Cr1 Si1 Sb2'
_cell_volume   78.43
_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
  Cr  Cr0  1  -0.0  0.31  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.6  0.29  0.15  1.0
  Sb  Sb3  1  0.6  0.29  0.85  1.0

Cr Si Sb Sb