# generated using pymatgen
data_Nd12B3AsBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.22561417
_cell_length_b   10.22561350
_cell_length_c   10.22561446
_cell_angle_alpha   109.90205633
_cell_angle_beta   109.90204733
_cell_angle_gamma   109.90204672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12B3AsBr12
_chemical_formula_sum   'Nd12 B3 As1 Br12'
_cell_volume   809.69297664
_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  0.47330754  0.49892644  0.22756270  1.0
  Nd  Nd1  1  0.75000000  0.23063252  0.26936748  1.0
  Nd  Nd2  1  0.75000000  0.01712198  0.48287802  1.0
  Nd  Nd3  1  0.22756270  0.47330754  0.49892644  1.0
  Nd  Nd4  1  0.26936748  0.75000000  0.23063252  1.0
  Nd  Nd5  1  0.02669246  0.27243730  0.00107356  1.0
  Nd  Nd6  1  0.00107356  0.02669246  0.27243730  1.0
  Nd  Nd7  1  0.48287802  0.75000000  0.01712198  1.0
  Nd  Nd8  1  0.49892644  0.22756270  0.47330754  1.0
  Nd  Nd9  1  0.01712198  0.48287802  0.75000000  1.0
  Nd  Nd10  1  0.27243730  0.00107356  0.02669246  1.0
  Nd  Nd11  1  0.23063252  0.26936748  0.75000000  1.0
  B  B12  1  0.49860667  0.00139333  0.25000000  1.0
  B  B13  1  0.00139333  0.25000000  0.49860667  1.0
  B  B14  1  0.25000000  0.49860667  0.00139333  1.0
  As  As15  1  0.25000000  0.25000000  0.25000000  1.0
  Br  Br16  1  0.25000000  0.75879039  0.74120961  1.0
  Br  Br17  1  0.51421359  0.50686447  0.75767046  1.0
  Br  Br18  1  0.98578641  0.74232954  0.99313553  1.0
  Br  Br19  1  0.74120961  0.25000000  0.75879039  1.0
  Br  Br20  1  0.99313553  0.98578641  0.74232954  1.0
  Br  Br21  1  0.25000000  0.99449907  0.50550093  1.0
  Br  Br22  1  0.75767046  0.51421359  0.50686447  1.0
  Br  Br23  1  0.50550093  0.25000000  0.99449907  1.0
  Br  Br24  1  0.75879039  0.74120961  0.25000000  1.0
  Br  Br25  1  0.74232954  0.99313553  0.98578641  1.0
  Br  Br26  1  0.99449907  0.50550093  0.25000000  1.0
  Br  Br27  1  0.50686447  0.75767046  0.51421359  1.0