# generated using pymatgen
data_Nd4C4Br3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23566941
_cell_length_b   11.06906342
_cell_length_c   11.20095427
_cell_angle_alpha   102.78903833
_cell_angle_beta   89.67717669
_cell_angle_gamma   94.83650941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4C4Br3
_chemical_formula_sum   'Nd8 C8 Br6'
_cell_volume   510.25795351
_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
  Nd  Nd0  1  0.62035776  0.17218981  0.02059670  1.0
  Nd  Nd1  1  0.23343012  0.36318417  0.83074880  1.0
  Nd  Nd2  1  0.37964224  0.82781019  0.97940330  1.0
  Nd  Nd3  1  0.62387735  0.17567813  0.56342643  1.0
  Nd  Nd4  1  0.97974503  0.97803287  0.24332817  1.0
  Nd  Nd5  1  0.02025497  0.02196713  0.75667183  1.0
  Nd  Nd6  1  0.76656988  0.63681583  0.16925120  1.0
  Nd  Nd7  1  0.37612265  0.82432187  0.43657357  1.0
  C  C8  1  0.50844960  0.84609304  0.21294978  1.0
  C  C9  1  0.87194660  0.96066266  0.99554930  1.0
  C  C10  1  0.24659139  0.76313630  0.19200534  1.0
  C  C11  1  0.12805340  0.03933734  0.00445070  1.0
  C  C12  1  0.12692546  0.03775066  0.51789867  1.0
  C  C13  1  0.87307454  0.96224934  0.48210133  1.0
  C  C14  1  0.75340861  0.23686370  0.80799466  1.0
  C  C15  1  0.49155040  0.15390696  0.78705022  1.0
  Br  Br16  1  0.19827696  0.38872219  0.57935238  1.0
  Br  Br17  1  0.20862879  0.40431700  0.10810697  1.0
  Br  Br18  1  0.79137121  0.59568300  0.89189303  1.0
  Br  Br19  1  0.58367141  0.20385637  0.29674070  1.0
  Br  Br20  1  0.41632859  0.79614363  0.70325930  1.0
  Br  Br21  1  0.80172304  0.61127781  0.42064762  1.0