# generated using pymatgen
data_LaNi3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64092516
_cell_length_b   9.64092516
_cell_length_c   7.13031900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.56859189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi3B
_chemical_formula_sum   'La8 Ni24 B8'
_cell_volume   582.05254546
_cell_formula_units_Z   8
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  0.45887200  0.03050300  0.75000000  1.0
  La  La1  1  0.03050300  0.45887200  0.25000000  1.0
  La  La2  1  0.54112800  0.96949700  0.25000000  1.0
  La  La3  1  0.96949700  0.54112800  0.75000000  1.0
  La  La4  1  0.53658300  0.46341700  0.75000000  1.0
  La  La5  1  0.46341700  0.53658300  0.25000000  1.0
  La  La6  1  0.03529200  0.96470800  0.75000000  1.0
  La  La7  1  0.96470800  0.03529200  0.25000000  1.0
  Ni  Ni8  1  0.74934900  0.00191500  0.92654200  1.0
  Ni  Ni9  1  0.00191500  0.74934900  0.07345800  1.0
  Ni  Ni10  1  0.74934900  0.00191500  0.57345800  1.0
  Ni  Ni11  1  0.00191500  0.74934900  0.42654200  1.0
  Ni  Ni12  1  0.25065100  0.99808500  0.07345800  1.0
  Ni  Ni13  1  0.99808500  0.25065100  0.92654200  1.0
  Ni  Ni14  1  0.25065100  0.99808500  0.42654200  1.0
  Ni  Ni15  1  0.99808500  0.25065100  0.57345800  1.0
  Ni  Ni16  1  0.50206600  0.74942000  0.92647300  1.0
  Ni  Ni17  1  0.74942000  0.50206600  0.07352700  1.0
  Ni  Ni18  1  0.50206600  0.74942000  0.57352700  1.0
  Ni  Ni19  1  0.74942000  0.50206600  0.42647300  1.0
  Ni  Ni20  1  0.49793400  0.25058000  0.07352700  1.0
  Ni  Ni21  1  0.25058000  0.49793400  0.92647300  1.0
  Ni  Ni22  1  0.49793400  0.25058000  0.42647300  1.0
  Ni  Ni23  1  0.25058000  0.49793400  0.57352700  1.0
  Ni  Ni24  1  0.74517200  0.25482800  0.98978500  1.0
  Ni  Ni25  1  0.25482800  0.74517200  0.01021500  1.0
  Ni  Ni26  1  0.74517200  0.25482800  0.51021500  1.0
  Ni  Ni27  1  0.25482800  0.74517200  0.48978500  1.0
  Ni  Ni28  1  0.75227400  0.75227400  0.00000000  1.0
  Ni  Ni29  1  0.75227400  0.75227400  0.50000000  1.0
  Ni  Ni30  1  0.24772600  0.24772600  0.00000000  1.0
  Ni  Ni31  1  0.24772600  0.24772600  0.50000000  1.0
  B  B32  1  0.68611200  0.81864000  0.75000000  1.0
  B  B33  1  0.81864000  0.68611200  0.25000000  1.0
  B  B34  1  0.31388800  0.18136000  0.25000000  1.0
  B  B35  1  0.18136000  0.31388800  0.75000000  1.0
  B  B36  1  0.81372000  0.18628000  0.75000000  1.0
  B  B37  1  0.18628000  0.81372000  0.25000000  1.0
  B  B38  1  0.31907800  0.68092200  0.75000000  1.0
  B  B39  1  0.68092200  0.31907800  0.25000000  1.0