# generated using pymatgen
data_La3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68228029
_cell_length_b   7.11126912
_cell_length_c   10.25333313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99373065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Ni
_chemical_formula_sum   'La12 Ni4'
_cell_volume   487.23319392
_cell_formula_units_Z   4
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  0.32430870  0.66279521  0.06973410  1.0
  La  La1  1  0.17558976  0.16276969  0.43027129  1.0
  La  La2  1  0.67569130  0.33720479  0.56973410  1.0
  La  La3  1  0.82441024  0.83723031  0.93027129  1.0
  La  La4  1  0.67569130  0.33720479  0.93026590  1.0
  La  La5  1  0.82441024  0.83723031  0.56972871  1.0
  La  La6  1  0.32430870  0.66279521  0.43026590  1.0
  La  La7  1  0.17558976  0.16276969  0.06972871  1.0
  La  La8  1  0.85504366  0.54224545  0.25000000  1.0
  La  La9  1  0.64486859  0.04227140  0.25000000  1.0
  La  La10  1  0.14495634  0.45775455  0.75000000  1.0
  La  La11  1  0.35513141  0.95772860  0.75000000  1.0
  Ni  Ni12  1  0.06661058  0.87888938  0.25000000  1.0
  Ni  Ni13  1  0.43290314  0.37893504  0.25000000  1.0
  Ni  Ni14  1  0.93338942  0.12111062  0.75000000  1.0
  Ni  Ni15  1  0.56709686  0.62106496  0.75000000  1.0