# generated using pymatgen
data_CsI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52261851
_cell_length_b   5.52261859
_cell_length_c   5.52261952
_cell_angle_alpha   59.99999443
_cell_angle_beta   59.99999393
_cell_angle_gamma   60.00001140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsI
_chemical_formula_sum   'Cs1 I1'
_cell_volume   119.10231948
_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
  Cs  Cs0  1  0.00000000  0.00000000  -0.00000000  1.0
  I  I1  1  0.50000000  0.50000000  0.50000000  1.0