# generated using pymatgen
data_Cu4I3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92860918
_cell_length_b   6.92860918
_cell_length_c   6.92882584
_cell_angle_alpha   80.36915321
_cell_angle_beta   80.36915321
_cell_angle_gamma   33.62755038
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4I3Br
_chemical_formula_sum   'Cu4 I3 Br1'
_cell_volume   181.36868023
_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  0.62478400  0.62478400  0.12684000  1.0
  Cu  Cu1  1  0.37521600  0.37521600  0.87316000  1.0
  Cu  Cu2  1  0.12407500  0.12407500  0.62358500  1.0
  Cu  Cu3  1  0.87592500  0.87592500  0.37641500  1.0
  I  I4  1  0.24897900  0.24897900  0.25273900  1.0
  I  I5  1  0.00000000  0.00000000  0.00000000  1.0
  I  I6  1  0.75102100  0.75102100  0.74726100  1.0
  Br  Br7  1  0.50000000  0.50000000  0.50000000  1.0