# generated using pymatgen
data_HoI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94568156
_cell_length_b   10.94606077
_cell_length_c   3.97778728
_cell_angle_alpha   90.00002734
_cell_angle_beta   89.99979912
_cell_angle_gamma   119.99883760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoI3
_chemical_formula_sum   'Ho2 I6'
_cell_volume   412.74130922
_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
  Ho  Ho0  1  0.33333165  0.66665390  0.74999708  1.0
  Ho  Ho1  1  0.66667339  0.33334488  0.25001030  1.0
  I  I2  1  0.21196798  0.42410898  0.25000167  1.0
  I  I3  1  0.57588045  0.78784012  0.24999714  1.0
  I  I4  1  0.21214670  0.78803383  0.25000016  1.0
  I  I5  1  0.78785809  0.57588941  0.75000340  1.0
  I  I6  1  0.42410772  0.21196911  0.74999901  1.0
  I  I7  1  0.78803403  0.21216178  0.75000224  1.0