# generated using pymatgen
data_Sr2SmNb(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.45823047
_cell_length_b   12.45823047
_cell_length_c   12.45823047
_cell_angle_alpha   154.39707823
_cell_angle_beta   154.39707823
_cell_angle_gamma   36.52271467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SmNb(CuO4)2
_chemical_formula_sum   'Sr4 Sm2 Nb2 Cu4 O16'
_cell_volume   360.59674923
_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
  Sr  Sr0  1  0.59973500  0.09973500  0.50000000  1.0
  Sr  Sr1  1  0.40026500  0.90026500  0.50000000  1.0
  Sr  Sr2  1  0.09973500  0.59973500  0.50000000  1.0
  Sr  Sr3  1  0.90026500  0.40026500  0.50000000  1.0
  Sm  Sm4  1  0.25000000  0.75000000  0.50000000  1.0
  Sm  Sm5  1  0.75000000  0.25000000  0.50000000  1.0
  Nb  Nb6  1  0.50000000  0.50000000  0.00000000  1.0
  Nb  Nb7  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu8  1  0.67991000  0.67991000  0.00000000  1.0
  Cu  Cu9  1  0.82009000  0.82009000  0.00000000  1.0
  Cu  Cu10  1  0.32009000  0.32009000  0.00000000  1.0
  Cu  Cu11  1  0.17991000  0.17991000  0.00000000  1.0
  O  O12  1  0.68058600  0.81941400  0.50000000  1.0
  O  O13  1  0.81941400  0.31941400  0.13882700  1.0
  O  O14  1  0.18058600  0.68058600  0.86117300  1.0
  O  O15  1  0.31941400  0.18058600  0.50000000  1.0
  O  O16  1  0.94056400  0.93150300  0.50000000  1.0
  O  O17  1  0.05943600  0.06849700  0.50000000  1.0
  O  O18  1  0.56849700  0.55943600  0.50000000  1.0
  O  O19  1  0.55943600  0.05943600  0.99093900  1.0
  O  O20  1  0.06849700  0.56849700  0.00906100  1.0
  O  O21  1  0.93150300  0.43150300  0.99093900  1.0
  O  O22  1  0.44056400  0.94056400  0.00906100  1.0
  O  O23  1  0.43150300  0.44056400  0.50000000  1.0
  O  O24  1  0.08380500  0.08380500  0.00000000  1.0
  O  O25  1  0.41619500  0.41619500  0.00000000  1.0
  O  O26  1  0.91619500  0.91619500  0.00000000  1.0
  O  O27  1  0.58380500  0.58380500  0.00000000  1.0