# generated using pymatgen
data_Sr2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71583337
_cell_length_b   6.71583337
_cell_length_c   6.71583337
_cell_angle_alpha   146.67487557
_cell_angle_beta   146.67487557
_cell_angle_gamma   47.84542439
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuO4
_chemical_formula_sum   'Sr2 Cu1 O4'
_cell_volume   91.05639780
_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  0.35902178  0.35902178  -0.00000000  1.0
  Sr  Sr1  1  0.64097822  0.64097822  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  -0.00000000  1.0
  O  O3  1  0.50000000  0.00000000  0.50000000  1.0
  O  O4  1  0.15599116  0.15599116  -0.00000000  1.0
  O  O5  1  0.84400884  0.84400884  0.00000000  1.0
  O  O6  1  0.00000000  0.50000000  0.50000000  1.0