# generated using pymatgen
data_Nd4BBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42536867
_cell_length_b   9.42536778
_cell_length_c   8.42528524
_cell_angle_alpha   103.10556770
_cell_angle_beta   103.10556672
_cell_angle_gamma   24.88343078
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4BBr5
_chemical_formula_sum   'Nd4 B1 Br5'
_cell_volume   306.33343432
_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
  Nd  Nd0  1  0.64590541  0.64590541  0.07976536  1.0
  Nd  Nd1  1  0.99915282  0.99915282  0.21519546  1.0
  Nd  Nd2  1  0.00084718  0.00084718  0.78480454  1.0
  Nd  Nd3  1  0.35409459  0.35409459  0.92023564  1.0
  B  B4  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br5  1  0.82836650  0.82836650  0.16748982  1.0
  Br  Br6  1  0.16648122  0.16648122  0.34296977  1.0
  Br  Br7  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br8  1  0.83351778  0.83351778  0.65702923  1.0
  Br  Br9  1  0.17163350  0.17163350  0.83250918  1.0