data_Cs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36
_cell_length_b   10.36
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs
_chemical_formula_sum   Cs4
_cell_volume   458.5
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.45  0.88  0.35  1.0
  Cs  Cs1  1  0.45  0.52  0.9  1.0
  Cs  Cs2  1  0.45  0.48  0.6  1.0
  Cs  Cs3  1  0.45  0.12  0.15  1.0

data_Cs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.5
_cell_length_b   8.9
_cell_length_c   10.36
_cell_angle_alpha   115.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cs
_chemical_formula_sum   Cs4
_cell_volume   458.5
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cs  Cs0  2  0.1  0.12  0.12  1.0
  Cs  Cs1  2  0.35  0.52  0.52  1.0

Cs Cs Cs Cs