# generated using pymatgen
data_IBrNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74830700
_cell_length_b   8.55110500
_cell_length_c   10.48083200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IBrNCl
_chemical_formula_sum   'I4 Br4 N4 Cl4'
_cell_volume   604.80145948
_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
  I  I0  1  0.25000000  0.03692400  0.13526500  1.0
  I  I1  1  0.25000000  0.46307600  0.63526500  1.0
  I  I2  1  0.75000000  0.96307600  0.86473500  1.0
  I  I3  1  0.75000000  0.53692400  0.36473500  1.0
  Br  Br4  1  0.25000000  0.23278900  0.94026500  1.0
  Br  Br5  1  0.25000000  0.26721100  0.44026500  1.0
  Br  Br6  1  0.75000000  0.76721100  0.05973500  1.0
  Br  Br7  1  0.75000000  0.73278900  0.55973500  1.0
  N  N8  1  0.75000000  0.45875700  0.84617700  1.0
  N  N9  1  0.75000000  0.04124300  0.34617700  1.0
  N  N10  1  0.25000000  0.54124300  0.15382300  1.0
  N  N11  1  0.25000000  0.95875700  0.65382300  1.0
  Cl  Cl12  1  0.25000000  0.85940200  0.32235900  1.0
  Cl  Cl13  1  0.25000000  0.64059800  0.82235900  1.0
  Cl  Cl14  1  0.75000000  0.14059800  0.67764100  1.0
  Cl  Cl15  1  0.75000000  0.35940200  0.17764100  1.0