# generated using pymatgen
data_Pb2Br5N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39520486
_cell_length_b   9.39520486
_cell_length_c   9.39520486
_cell_angle_alpha   126.31795477
_cell_angle_beta   126.31795477
_cell_angle_gamma   79.36618638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb2Br5N
_chemical_formula_sum   'Pb4 Br10 N2'
_cell_volume   520.45632910
_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
  Pb  Pb0  1  0.17137800  0.67137800  0.84275700  1.0
  Pb  Pb1  1  0.82862200  0.32862200  0.15724300  1.0
  Pb  Pb2  1  0.67137800  0.82862200  0.50000000  1.0
  Pb  Pb3  1  0.32862200  0.17137800  0.50000000  1.0
  Br  Br4  1  0.77279700  0.27279700  0.78148000  1.0
  Br  Br5  1  0.49131700  0.99131700  0.21852000  1.0
  Br  Br6  1  0.27279700  0.49131700  0.50000000  1.0
  Br  Br7  1  0.99131700  0.77279700  0.50000000  1.0
  Br  Br8  1  0.22720300  0.72720300  0.21852000  1.0
  Br  Br9  1  0.50868300  0.00868300  0.78148000  1.0
  Br  Br10  1  0.72720300  0.50868300  0.50000000  1.0
  Br  Br11  1  0.00868300  0.22720300  0.50000000  1.0
  Br  Br12  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br13  1  0.50000000  0.50000000  0.00000000  1.0
  N  N14  1  0.75000000  0.75000000  0.00000000  1.0
  N  N15  1  0.25000000  0.25000000  0.00000000  1.0