# generated using pymatgen
data_Nd5(BN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42400062
_cell_length_b   6.42400026
_cell_length_c   8.90047086
_cell_angle_alpha   74.62389523
_cell_angle_beta   74.62389676
_cell_angle_gamma   32.46153003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5(BN3)2
_chemical_formula_sum   'Nd5 B2 N6'
_cell_volume   189.47692713
_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  0.62482222  0.62482222  0.62679433  1.0
  Nd  Nd1  1  0.30841592  0.30841592  0.81971435  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd3  1  0.69158408  0.69158408  0.18028565  1.0
  Nd  Nd4  1  0.37517778  0.37517778  0.37320567  1.0
  B  B5  1  0.05493173  0.05493173  0.41052248  1.0
  B  B6  1  0.94506827  0.94506827  0.58947752  1.0
  N  N7  1  0.02584007  0.02584007  0.26089280  1.0
  N  N8  1  0.34405332  0.34405332  0.08084286  1.0
  N  N9  1  0.82724676  0.82724676  0.58370052  1.0
  N  N10  1  0.97415993  0.97415993  0.73910720  1.0
  N  N11  1  0.65594668  0.65594668  0.91915714  1.0
  N  N12  1  0.17275324  0.17275324  0.41629948  1.0