# generated using pymatgen
data_Cd2C9Br7N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.19961100
_cell_length_b   12.19961121
_cell_length_c   7.31360900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2C9Br7N3
_chemical_formula_sum   'Cd4 C18 Br14 N6'
_cell_volume   942.65838309
_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
  Cd  Cd0  1  0.00000000  0.00000000  0.97861700  1.0
  Cd  Cd1  1  0.00000000  0.00000000  0.47861700  1.0
  Cd  Cd2  1  0.33333300  0.66666700  0.34489500  1.0
  Cd  Cd3  1  0.66666700  0.33333300  0.84489500  1.0
  C  C4  1  0.79887700  0.20112300  0.09315700  1.0
  C  C5  1  0.40224600  0.20112300  0.09315700  1.0
  C  C6  1  0.79887700  0.59775400  0.09315700  1.0
  C  C7  1  0.20112300  0.79887700  0.59315700  1.0
  C  C8  1  0.59775400  0.79887700  0.59315700  1.0
  C  C9  1  0.20112300  0.40224600  0.59315700  1.0
  C  C10  1  0.85367000  0.25976000  0.44235000  1.0
  C  C11  1  0.40609000  0.14633000  0.44235000  1.0
  C  C12  1  0.74024000  0.59391000  0.44235000  1.0
  C  C13  1  0.40609000  0.25976000  0.44235000  1.0
  C  C14  1  0.74024000  0.14633000  0.44235000  1.0
  C  C15  1  0.85367000  0.59391000  0.44235000  1.0
  C  C16  1  0.14633000  0.74024000  0.94235000  1.0
  C  C17  1  0.59391000  0.85367000  0.94235000  1.0
  C  C18  1  0.25976000  0.40609000  0.94235000  1.0
  C  C19  1  0.59391000  0.74024000  0.94235000  1.0
  C  C20  1  0.25976000  0.85367000  0.94235000  1.0
  C  C21  1  0.14633000  0.40609000  0.94235000  1.0
  Br  Br22  1  0.33333300  0.66666700  0.97980800  1.0
  Br  Br23  1  0.66666700  0.33333300  0.47980800  1.0
  Br  Br24  1  0.09992400  0.90007600  0.22741200  1.0
  Br  Br25  1  0.80015100  0.90007600  0.22741200  1.0
  Br  Br26  1  0.09992400  0.19984900  0.22741200  1.0
  Br  Br27  1  0.90007600  0.09992400  0.72741200  1.0
  Br  Br28  1  0.19984900  0.09992400  0.72741200  1.0
  Br  Br29  1  0.90007600  0.80015100  0.72741200  1.0
  Br  Br30  1  0.44637600  0.55362400  0.49672800  1.0
  Br  Br31  1  0.10724700  0.55362400  0.49672800  1.0
  Br  Br32  1  0.44637600  0.89275300  0.49672800  1.0
  Br  Br33  1  0.55362400  0.44637600  0.99672800  1.0
  Br  Br34  1  0.89275300  0.44637600  0.99672800  1.0
  Br  Br35  1  0.55362400  0.10724700  0.99672800  1.0
  N  N36  1  0.80158800  0.19841200  0.26147800  1.0
  N  N37  1  0.39682400  0.19841200  0.26147800  1.0
  N  N38  1  0.80158800  0.60317600  0.26147800  1.0
  N  N39  1  0.19841200  0.80158800  0.76147800  1.0
  N  N40  1  0.60317600  0.80158800  0.76147800  1.0
  N  N41  1  0.19841200  0.39682400  0.76147800  1.0