# generated using pymatgen
data_PrNi3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93005142
_cell_length_b   5.93005159
_cell_length_c   5.93005146
_cell_angle_alpha   131.16593556
_cell_angle_beta   106.72968346
_cell_angle_gamma   93.08981934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrNi3B
_chemical_formula_sum   'Pr2 Ni6 B2'
_cell_volume   141.51472461
_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
  Pr  Pr0  1  0.82038955  0.57038955  0.25000000  1.0
  Pr  Pr1  1  0.17961045  0.42961045  0.75000000  1.0
  Ni  Ni2  1  0.32340250  0.50000000  0.32340250  1.0
  Ni  Ni3  1  0.67659750  0.50000000  0.67659750  1.0
  Ni  Ni4  1  0.67659750  1.00000000  0.17659750  1.0
  Ni  Ni5  1  0.32340250  0.00000000  0.82340250  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni7  1  0.50000000  0.00000000  0.50000000  1.0
  B  B8  1  0.38082213  0.13082213  0.25000000  1.0
  B  B9  1  0.61917787  0.86917787  0.75000000  1.0