# generated using pymatgen
data_LaNi3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.60383972
_cell_length_b   9.60383972
_cell_length_c   7.16055900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.01762372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi3B
_chemical_formula_sum   'La8 Ni24 B8'
_cell_volume   583.04302786
_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  0.45478500  0.02501100  0.75000000  1.0
  La  La1  1  0.02501100  0.45478500  0.25000000  1.0
  La  La2  1  0.54521500  0.97498900  0.25000000  1.0
  La  La3  1  0.97498900  0.54521500  0.75000000  1.0
  La  La4  1  0.53667100  0.46332900  0.75000000  1.0
  La  La5  1  0.46332900  0.53667100  0.25000000  1.0
  La  La6  1  0.03581800  0.96418200  0.75000000  1.0
  La  La7  1  0.96418200  0.03581800  0.25000000  1.0
  Ni  Ni8  1  0.74784800  0.00523200  0.92612600  1.0
  Ni  Ni9  1  0.00523200  0.74784800  0.07387400  1.0
  Ni  Ni10  1  0.74784800  0.00523200  0.57387400  1.0
  Ni  Ni11  1  0.00523200  0.74784800  0.42612600  1.0
  Ni  Ni12  1  0.25215200  0.99476800  0.07387400  1.0
  Ni  Ni13  1  0.99476800  0.25215200  0.92612600  1.0
  Ni  Ni14  1  0.25215200  0.99476800  0.42612600  1.0
  Ni  Ni15  1  0.99476800  0.25215200  0.57387400  1.0
  Ni  Ni16  1  0.50525200  0.74783900  0.92599900  1.0
  Ni  Ni17  1  0.74783900  0.50525200  0.07400100  1.0
  Ni  Ni18  1  0.50525200  0.74783900  0.57400100  1.0
  Ni  Ni19  1  0.74783900  0.50525200  0.42599900  1.0
  Ni  Ni20  1  0.49474800  0.25216100  0.07400100  1.0
  Ni  Ni21  1  0.25216100  0.49474800  0.92599900  1.0
  Ni  Ni22  1  0.49474800  0.25216100  0.42599900  1.0
  Ni  Ni23  1  0.25216100  0.49474800  0.57400100  1.0
  Ni  Ni24  1  0.74100100  0.25899900  0.98705700  1.0
  Ni  Ni25  1  0.25899900  0.74100100  0.01294300  1.0
  Ni  Ni26  1  0.74100100  0.25899900  0.51294300  1.0
  Ni  Ni27  1  0.25899900  0.74100100  0.48705700  1.0
  Ni  Ni28  1  0.75847900  0.75847900  0.00000000  1.0
  Ni  Ni29  1  0.75847900  0.75847900  0.50000000  1.0
  Ni  Ni30  1  0.24152100  0.24152100  0.00000000  1.0
  Ni  Ni31  1  0.24152100  0.24152100  0.50000000  1.0
  B  B32  1  0.69074200  0.82273000  0.75000000  1.0
  B  B33  1  0.82273000  0.69074200  0.25000000  1.0
  B  B34  1  0.30925800  0.17727000  0.25000000  1.0
  B  B35  1  0.17727000  0.30925800  0.75000000  1.0
  B  B36  1  0.80975800  0.19024300  0.75000000  1.0
  B  B37  1  0.19024200  0.80975800  0.25000000  1.0
  B  B38  1  0.32218400  0.67781600  0.75000000  1.0
  B  B39  1  0.67781600  0.32218400  0.25000000  1.0