data_CsH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   72.33
_cell_angle_beta   72.33
_cell_angle_gamma   72.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsH3
_chemical_formula_sum   'Cs2 H6'
_cell_volume   137.4
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Cs  Cs1  1  0.0  0.0  0.9  1.0
  H  H2  1  0.36  0.38  0.95  1.0
  H  H3  1  0.36  0.62  0.95  1.0
  H  H4  1  0.72  0.0  0.86  1.0
  H  H5  1  0.64  0.38  0.86  1.0
  H  H6  1  0.64  0.62  0.86  1.0
  H  H7  1  0.28  0.0  0.95  1.0

data_CsH3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   72.33
_cell_angle_beta   72.33
_cell_angle_gamma   72.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsH3
_chemical_formula_sum   'Cs2 H6'
_cell_volume   137.4
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Cs  Cs1  1  0.0  0.0  0.1  1.0
  H  H2  1  0.0  0.28  0.14  1.0
  H  H3  1  0.0  0.72  0.05  1.0
  H  H4  1  0.38  0.36  0.14  1.0
  H  H5  1  0.38  0.64  0.05  1.0
  H  H6  1  0.62  0.36  0.14  1.0
  H  H7  1  0.62  0.64  0.05  1.0

Cs Cs H H H H H H