# generated using pymatgen
data_NdNi2B2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62458655
_cell_length_b   5.62458655
_cell_length_c   5.62458655
_cell_angle_alpha   141.79787489
_cell_angle_beta   141.79787489
_cell_angle_gamma   55.13338361
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNi2B2C
_chemical_formula_sum   'Nd1 Ni2 B2 C1'
_cell_volume   67.56438354
_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  -0.00000000  0.00000000  -0.00000000  1.0
  Ni  Ni1  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni2  1  0.25000000  0.75000000  0.50000000  1.0
  B  B3  1  0.34995767  0.34995767  0.00000000  1.0
  B  B4  1  0.65004233  0.65004233  -0.00000000  1.0
  C  C5  1  0.50000000  0.50000000  -0.00000000  1.0