# generated using pymatgen
data_Cu3I4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28449139
_cell_length_b   7.28449129
_cell_length_c   7.28449122
_cell_angle_alpha   131.81300658
_cell_angle_beta   131.81300790
_cell_angle_gamma   70.52451884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3I4
_chemical_formula_sum   'Cu3 I4'
_cell_volume   210.39072059
_cell_formula_units_Z   1
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  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu1  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1.0
  I  I3  1  0.37230212  0.87578211  1.00000000  1.0
  I  I4  1  0.12421789  0.12421789  0.49652001  1.0
  I  I5  1  0.87578211  0.37230212  1.00000000  1.0
  I  I6  1  0.62769788  0.62769788  0.50347999  1.0