# generated using pymatgen
data_Sr2CuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51666645
_cell_length_b   3.92796063
_cell_length_c   6.83661372
_cell_angle_alpha   106.69480640
_cell_angle_beta   104.90360594
_cell_angle_gamma   89.99999883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuO3
_chemical_formula_sum   'Sr2 Cu1 O3'
_cell_volume   87.13389116
_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
  Sr  Sr0  1  0.64692538  0.14692538  0.29385275  1.0
  Sr  Sr1  1  0.35307462  0.85307462  0.70614725  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.00000000  1.0
  O  O3  1  0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.84582421  0.34582421  0.69164742  1.0
  O  O5  1  0.15417579  0.65417579  0.30835258  1.0