data_CaGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   134.69
_cell_angle_beta   130.76
_cell_angle_gamma   69.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaSb2
_chemical_formula_sum   'Ca1 Ga1 Sb2'
_cell_volume   103.86
_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  0.0  0.0  0.79  1.0
  Sb  Sb2  1  0.24  0.0  0.4  1.0
  Sb  Sb3  1  0.0  0.42  0.39  1.0

data_CaGaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.84
_cell_length_c   5.81
_cell_angle_alpha   114.62
_cell_angle_beta   112.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaSb2
_chemical_formula_sum   'Ca1 Ga1 Sb2'
_cell_volume   103.86
_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  0.0  0.79  0.79  1.0
  Sb  Sb2  1  0.0  0.4  0.16  1.0
  Sb  Sb3  1  0.58  0.96  0.96  1.0

Ca Ga Sb Sb