# generated using pymatgen
data_CuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51185989
_cell_length_b   4.25373943
_cell_length_c   7.37042407
_cell_angle_alpha   54.70741273
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuI
_chemical_formula_sum   'Cu4 I4'
_cell_volume   217.81660491
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.37359918  0.80931052  0.73302109  1.0
  Cu  Cu1  1  0.62640082  0.80931052  0.23302109  1.0
  Cu  Cu2  1  0.87608225  0.79998413  0.73042495  1.0
  Cu  Cu3  1  0.12391775  0.79998413  0.23042495  1.0
  I  I4  1  0.37517429  0.05847051  0.98292879  1.0
  I  I5  1  0.62482571  0.05847051  0.48292879  1.0
  I  I6  1  0.87473816  0.05093485  0.98072417  1.0
  I  I7  1  0.12526184  0.05093485  0.48072417  1.0