# generated using pymatgen
data_Nd2BC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90500422
_cell_length_b   6.90500422
_cell_length_c   9.57227781
_cell_angle_alpha   50.46709498
_cell_angle_beta   129.53290502
_cell_angle_gamma   149.08892401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2BC
_chemical_formula_sum   'Nd4 B2 C2'
_cell_volume   176.05461839
_cell_formula_units_Z   2
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  0.79226603  0.20773397  0.38119539  1.0
  Nd  Nd1  1  0.20773497  0.79226503  0.61880361  1.0
  Nd  Nd2  1  0.44144414  0.55855586  0.14077857  1.0
  Nd  Nd3  1  0.55855586  0.44144414  0.85922243  1.0
  B  B4  1  0.07446533  0.92553467  0.10756600  1.0
  B  B5  1  0.92553267  0.07446733  0.89243300  1.0
  C  C6  1  0.87301252  0.12698748  0.69779408  1.0
  C  C7  1  0.12698848  0.87301152  0.30220492  1.0