# generated using pymatgen
data_Nd9Y(Sn3Br)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44530859
_cell_length_b   9.44530948
_cell_length_c   6.87785652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd9Y(Sn3Br)2
_chemical_formula_sum   'Nd9 Y1 Sn6 Br2'
_cell_volume   531.39331394
_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  0.26968343  0.26947232  0.74963703  1.0
  Nd  Nd1  1  0.99978889  0.73031657  0.74963703  1.0
  Nd  Nd2  1  0.73052768  0.00021111  0.74963703  1.0
  Nd  Nd3  1  0.99978889  0.26947232  0.25036297  1.0
  Nd  Nd4  1  0.73052768  0.73031657  0.25036297  1.0
  Nd  Nd5  1  0.66666700  0.33333300  0.50000000  1.0
  Nd  Nd6  1  0.26968343  0.00021111  0.25036297  1.0
  Nd  Nd7  1  0.33333300  0.66666700  0.00000000  1.0
  Nd  Nd8  1  0.66666700  0.33333300  0.00000000  1.0
  Y  Y9  1  0.33333300  0.66666700  0.50000000  1.0
  Sn  Sn10  1  0.60895014  0.99625410  0.25349484  1.0
  Sn  Sn11  1  0.00374590  0.39104986  0.74650516  1.0
  Sn  Sn12  1  0.38730396  0.99625410  0.74650516  1.0
  Sn  Sn13  1  0.60895014  0.61269604  0.74650516  1.0
  Sn  Sn14  1  0.00374590  0.61269604  0.25349484  1.0
  Sn  Sn15  1  0.38730396  0.39104986  0.25349484  1.0
  Br  Br16  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.50000000  1.0