# generated using pymatgen
data_Sm2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90716239
_cell_length_b   3.90716319
_cell_length_c   6.60899421
_cell_angle_alpha   107.19317244
_cell_angle_beta   107.19317898
_cell_angle_gamma   90.00000112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2CuO4
_chemical_formula_sum   'Sm2 Cu1 O4'
_cell_volume   91.65383439
_cell_formula_units_Z   1
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  0.64974549  0.64974549  0.29949097  1.0
  Sm  Sm1  1  0.35025451  0.35025451  0.70050903  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  O  O3  1  0.25000000  0.75000000  0.50000000  1.0
  O  O4  1  0.75000000  0.25000000  0.50000000  1.0
  O  O5  1  0.00000000  0.50000000  0.00000000  1.0
  O  O6  1  0.50000000  0.00000000  0.00000000  1.0