# generated using pymatgen
data_NdY9(Pb3Br)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.26612825
_cell_length_b   9.25953838
_cell_length_c   6.75316885
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02354509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdY9(Pb3Br)2
_chemical_formula_sum   'Nd1 Y9 Pb6 Br2'
_cell_volume   501.67538787
_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  0.26929852  0.00000000  0.25000000  1.0
  Y  Y1  1  0.72897694  0.00000000  0.75000000  1.0
  Y  Y2  1  0.00107136  0.26877648  0.25000000  1.0
  Y  Y3  1  0.99945084  0.72995552  0.75000000  1.0
  Y  Y4  1  0.73229588  0.73122352  0.25000000  1.0
  Y  Y5  1  0.26949532  0.27004448  0.75000000  1.0
  Y  Y6  1  0.33383959  0.66675256  0.99965259  1.0
  Y  Y7  1  0.66708803  0.33324744  0.99965259  1.0
  Y  Y8  1  0.66708803  0.33324744  0.50034741  1.0
  Y  Y9  1  0.33383959  0.66675256  0.50034741  1.0
  Pb  Pb10  1  0.61635039  0.00000000  0.25000000  1.0
  Pb  Pb11  1  0.38754121  0.00000000  0.75000000  1.0
  Pb  Pb12  1  0.99700176  0.60739565  0.25000000  1.0
  Pb  Pb13  1  0.00030386  0.38825335  0.75000000  1.0
  Pb  Pb14  1  0.38960612  0.39260435  0.25000000  1.0
  Pb  Pb15  1  0.61205052  0.61174665  0.75000000  1.0
  Br  Br16  1  0.99735152  0.00000000  0.99746288  1.0
  Br  Br17  1  0.99735152  0.00000000  0.50253712  1.0