# generated using pymatgen
data_Cu3(BrN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47090458
_cell_length_b   7.47090458
_cell_length_c   7.47090458
_cell_angle_alpha   97.63379703
_cell_angle_beta   97.63379703
_cell_angle_gamma   137.24961009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3(BrN)4
_chemical_formula_sum   'Cu3 Br4 N4'
_cell_volume   263.58120025
_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  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu1  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br3  1  0.50000000  0.20099900  0.70099900  1.0
  Br  Br4  1  0.50000000  0.79900100  0.29900100  1.0
  Br  Br5  1  0.79900100  0.50000000  0.29900100  1.0
  Br  Br6  1  0.20099900  0.50000000  0.70099900  1.0
  N  N7  1  0.13206400  0.13206400  0.26412800  1.0
  N  N8  1  0.86793600  0.86793600  0.73587200  1.0
  N  N9  1  0.86793600  0.13206400  0.00000000  1.0
  N  N10  1  0.13206400  0.86793600  0.00000000  1.0