data_CrSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   4.31
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Sb
_chemical_formula_sum   'Cr1 Si2 Sb1'
_cell_volume   67.99
_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  0.0  0.0  1.0
  Si  Si2  1  0.48  0.16  0.48  1.0
  Si  Si3  1  1.0  0.16  0.08  1.0
  Sb  Sb1  1  0.24  0.0  0.28  1.0

data_CrSi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.31
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Sb
_chemical_formula_sum   'Cr1 Si2 Sb1'
_cell_volume   67.99
_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  0.0  0.0  1.0
  Si  Si1  1  0.48  0.16  0.48  1.0
  Si  Si2  1  1.0  0.16  0.08  1.0
  Sb  Sb3  1  0.24  0.0  0.28  1.0

Cr Si Si Sb
Cr Si Si Sb 0 2 - o o 0 3 o o o 1 3 o o o 2 3 + o o 