# generated using pymatgen
data_BaCeI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50673631
_cell_length_b   9.03711382
_cell_length_c   9.27009305
_cell_angle_alpha   113.85854741
_cell_angle_beta   107.75834295
_cell_angle_gamma   102.01548252
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCeI4
_chemical_formula_sum   'Ba2 Ce2 I8'
_cell_volume   506.49606045
_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
  Ba  Ba0  1  0.88541211  0.63521495  0.26982361  1.0
  Ba  Ba1  1  0.11458789  0.36478505  0.73017639  1.0
  Ce  Ce2  1  0.25012182  0.00006557  0.99956826  1.0
  Ce  Ce3  1  0.74987818  -0.00006557  0.00043174  1.0
  I  I4  1  0.51305243  0.23338122  0.87454500  1.0
  I  I5  1  0.48694757  0.76661878  0.12545500  1.0
  I  I6  1  0.13992006  0.35995062  0.12569183  1.0
  I  I7  1  0.70492675  0.28970326  0.34798664  1.0
  I  I8  1  0.85707608  0.94108988  0.65197816  1.0
  I  I9  1  0.14292392  0.05891012  0.34802184  1.0
  I  I10  1  0.29507325  0.71029674  0.65201336  1.0
  I  I11  1  0.86007994  0.64004938  0.87430817  1.0