# generated using pymatgen
data_LaNi3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95595733
_cell_length_b   5.95595733
_cell_length_c   5.95595733
_cell_angle_alpha   131.32244465
_cell_angle_beta   107.03040086
_cell_angle_gamma   92.68385703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi3B
_chemical_formula_sum   'La2 Ni6 B2'
_cell_volume   142.97275360
_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
  La  La0  1  0.82386438  0.57386438  0.25000000  1.0
  La  La1  1  0.17613562  0.42613562  0.75000000  1.0
  Ni  Ni2  1  0.32376308  0.50000000  0.32376308  1.0
  Ni  Ni3  1  0.67623692  0.50000000  0.67623692  1.0
  Ni  Ni4  1  0.67623692  -0.00000000  0.17623692  1.0
  Ni  Ni5  1  0.32376308  -0.00000000  0.82376308  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  0.38147843  0.13147843  0.25000000  1.0
  B  B9  1  0.61852157  0.86852157  0.75000000  1.0