# generated using pymatgen
data_PmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.06892877
_cell_length_b   11.06887725
_cell_length_c   4.09576516
_cell_angle_alpha   90.00036958
_cell_angle_beta   90.00000933
_cell_angle_gamma   119.99807227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmI3
_chemical_formula_sum   'Pm2 I6'
_cell_volume   434.59355275
_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
  Pm  Pm0  1  0.33332852  0.66666930  0.74999762  1.0
  Pm  Pm1  1  0.66667073  0.33333306  0.25000124  1.0
  I  I2  1  0.21061241  0.42124901  0.24999015  1.0
  I  I3  1  0.57874289  0.78937994  0.24999016  1.0
  I  I4  1  0.21060519  0.78937971  0.25000380  1.0
  I  I5  1  0.78940443  0.57875755  0.75000450  1.0
  I  I6  1  0.42125033  0.21061753  0.75000435  1.0
  I  I7  1  0.78938250  0.21061091  0.75000419  1.0