# generated using pymatgen
data_BaLaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53172103
_cell_length_b   9.04477061
_cell_length_c   9.27609685
_cell_angle_alpha   113.81734356
_cell_angle_beta   107.78827075
_cell_angle_gamma   101.95084762
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaI4
_chemical_formula_sum   'Ba2 La2 I8'
_cell_volume   509.31765430
_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  0.38471698  0.63469342  0.26929678  1.0
  Ba  Ba1  1  0.61529398  0.36532173  0.73069903  1.0
  La  La2  1  0.25039647  0.00036487  0.00075752  1.0
  La  La3  1  0.74960860  0.99962271  0.99924184  1.0
  I  I4  1  0.01283335  0.23407406  0.87383423  1.0
  I  I5  1  0.36106952  0.63962889  0.87356410  1.0
  I  I6  1  0.98719282  0.76593687  0.12616988  1.0
  I  I7  1  0.63888995  0.36040244  0.12643403  1.0
  I  I8  1  0.35599828  0.94116564  0.65106970  1.0
  I  I9  1  0.79505710  0.70975000  0.65136214  1.0
  I  I10  1  0.64401374  0.05885232  0.34895043  1.0
  I  I11  1  0.20492920  0.29018705  0.34862031  1.0