data_CrGa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   3.22
_cell_angle_alpha   105.57
_cell_angle_beta   105.57
_cell_angle_gamma   123.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Sb
_chemical_formula_sum   'Cr1 Ga2 Sb1'
_cell_volume   71.43
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.34  0.52  0.0  1.0
  Ga  Ga2  1  0.34  0.48  0.0  1.0
  Sb  Sb3  1  0.68  0.0  0.0  1.0

data_CrGa2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.41
_cell_length_c   5.7
_cell_angle_alpha   112.12
_cell_angle_beta   105.57
_cell_angle_gamma   92.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Sb
_chemical_formula_sum   'Cr1 Ga2 Sb1'
_cell_volume   71.43
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.48  0.48  0.83  1.0
  Ga  Ga2  1  0.52  0.52  0.86  1.0
  Sb  Sb3  1  0.0  0.0  0.68  1.0

Cr Ga Ga Sb