# generated using pymatgen
data_Nd9Tm(Sn3Br)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43649467
_cell_length_b   9.43649597
_cell_length_c   6.85151561
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999890
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd9Tm(Sn3Br)2
_chemical_formula_sum   'Nd9 Tm1 Sn6 Br2'
_cell_volume   528.37072350
_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  0.27005261  0.26957717  0.74960322  1.0
  Nd  Nd1  1  0.99952457  0.72994739  0.74960322  1.0
  Nd  Nd2  1  0.73042283  0.00047543  0.74960322  1.0
  Nd  Nd3  1  0.99952457  0.26957717  0.25039678  1.0
  Nd  Nd4  1  0.73042283  0.72994739  0.25039678  1.0
  Nd  Nd5  1  0.66666700  0.33333300  0.50000000  1.0
  Nd  Nd6  1  0.27005261  0.00047543  0.25039678  1.0
  Nd  Nd7  1  0.33333300  0.66666700  0.00000000  1.0
  Nd  Nd8  1  0.66666700  0.33333300  0.00000000  1.0
  Tm  Tm9  1  0.33333300  0.66666700  0.50000000  1.0
  Sn  Sn10  1  0.60796691  0.99457754  0.25546896  1.0
  Sn  Sn11  1  0.00542246  0.39203309  0.74453104  1.0
  Sn  Sn12  1  0.38660963  0.99457754  0.74453104  1.0
  Sn  Sn13  1  0.60796691  0.61339037  0.74453104  1.0
  Sn  Sn14  1  0.00542246  0.61339037  0.25546896  1.0
  Sn  Sn15  1  0.38660963  0.39203309  0.25546896  1.0
  Br  Br16  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.50000000  1.0