# generated using pymatgen
data_SmPRuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92700158
_cell_length_b   3.92700158
_cell_length_c   7.84418242
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmPRuN
_chemical_formula_sum   'Sm2 P2 Ru2 N2'
_cell_volume   120.96781509
_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
  Sm  Sm0  1  0.50000100  0.00000000  0.16747442  1.0
  Sm  Sm1  1  0.00000000  0.50000100  0.83252558  1.0
  P  P2  1  0.00000000  0.50000100  0.34739910  1.0
  P  P3  1  0.50000100  0.00000000  0.65260090  1.0
  Ru  Ru4  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru5  1  0.50000100  0.50000100  0.50000000  1.0
  N  N6  1  0.00000000  0.50000100  0.13303418  1.0
  N  N7  1  0.50000100  0.00000000  0.86696582  1.0