# generated using pymatgen
data_SmNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28682054
_cell_length_b   5.44978590
_cell_length_c   7.53088649
_cell_angle_alpha   90.00021620
_cell_angle_beta   90.00051183
_cell_angle_gamma   89.99971112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNiO3
_chemical_formula_sum   'Sm4 Ni4 O12'
_cell_volume   216.98020304
_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
  Sm  Sm0  1  0.01278856  0.94363263  0.75002558  1.0
  Sm  Sm1  1  0.51279778  0.55632602  0.24997455  1.0
  Sm  Sm2  1  0.48720222  0.44367398  0.75002545  1.0
  Sm  Sm3  1  0.98721144  0.05636737  0.24997442  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  -0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni6  1  -0.00000000  0.50000000  -0.00000000  1.0
  Ni  Ni7  1  0.50000000  0.00000000  -0.00000000  1.0
  O  O8  1  0.70673583  0.29349112  0.45729712  1.0
  O  O9  1  0.20665270  0.20658996  0.54270157  1.0
  O  O10  1  0.79332335  0.79339711  0.04265886  1.0
  O  O11  1  0.29324811  0.70652011  0.95733636  1.0
  O  O12  1  0.29326417  0.70650888  0.54270288  1.0
  O  O13  1  0.79334730  0.79341004  0.45729843  1.0
  O  O14  1  0.20667665  0.20660289  0.95734114  1.0
  O  O15  1  0.70675189  0.29347989  0.04266364  1.0
  O  O16  1  0.08061070  0.48489862  0.24996387  1.0
  O  O17  1  0.58066172  0.01510971  0.75003744  1.0
  O  O18  1  0.41933828  0.98489029  0.24996256  1.0
  O  O19  1  0.91938930  0.51510138  0.75003613  1.0