data_CaGa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   133.96
_cell_angle_beta   133.96
_cell_angle_gamma   67.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Sb
_chemical_formula_sum   'Ca1 Ga2 Sb1'
_cell_volume   93.48
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.22  0.0  0.37  1.0
  Ga  Ga2  1  0.0  0.0  0.73  1.0
  Sb  Sb3  1  0.0  0.22  0.37  1.0

data_CaGa2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.68
_cell_angle_alpha   113.02
_cell_angle_beta   113.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Sb
_chemical_formula_sum   'Ca1 Ga2 Sb1'
_cell_volume   93.48
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.37  0.15  0.15  1.0
  Ga  Ga2  1  0.73  0.73  0.73  1.0
  Sb  Sb3  1  0.15  0.37  0.15  1.0

Ca Ga Ga Sb