# generated using pymatgen
data_CuH2(Br2N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30341383
_cell_length_b   6.30341383
_cell_length_c   6.30341383
_cell_angle_alpha   106.39728994
_cell_angle_beta   106.39728994
_cell_angle_gamma   115.81124801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH2(Br2N)2
_chemical_formula_sum   'Cu1 H2 Br4 N2'
_cell_volume   191.00960121
_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  0.00000000  0.00000000  0.00000000  1.0
  H  H1  1  0.22707800  0.22707800  0.00000000  1.0
  H  H2  1  0.77292200  0.77292200  0.00000000  1.0
  Br  Br3  1  0.22913400  0.77086600  0.00000000  1.0
  Br  Br4  1  0.77086600  0.22913400  0.00000000  1.0
  Br  Br5  1  0.22913400  0.22913400  0.45826900  1.0
  Br  Br6  1  0.77086600  0.77086600  0.54173100  1.0
  N  N7  1  0.25000000  0.75000000  0.50000000  1.0
  N  N8  1  0.75000000  0.25000000  0.50000000  1.0