# generated using pymatgen
data_SrCuOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67689470
_cell_length_b   5.67689470
_cell_length_c   5.67689470
_cell_angle_alpha   118.57671973
_cell_angle_beta   118.57671973
_cell_angle_gamma   92.48339461
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuOF2
_chemical_formula_sum   'Sr2 Cu2 O2 F4'
_cell_volume   132.01408212
_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  0.75000000  0.25000000  0.50000000  1.0
  Sr  Sr1  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.75000000  0.75000000  0.00000000  1.0
  O  O5  1  0.25000000  0.25000000  0.00000000  1.0
  F  F6  1  0.81597800  0.31597800  0.13195700  1.0
  F  F7  1  0.31597800  0.18402200  0.50000000  1.0
  F  F8  1  0.18402200  0.68402200  0.86804300  1.0
  F  F9  1  0.68402200  0.81597800  0.50000000  1.0