# generated using pymatgen
data_MgCu2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35972507
_cell_length_b   5.31761872
_cell_length_c   6.75465699
_cell_angle_alpha   108.38399904
_cell_angle_beta   104.36323244
_cell_angle_gamma   89.98261599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2(O2F)2
_chemical_formula_sum   'Mg1 Cu2 O4 F2'
_cell_volume   110.53916860
_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
  Mg  Mg0  1  0.63666000  0.22191000  0.27495900  1.0
  Cu  Cu1  1  0.89253700  0.54065800  0.78503100  1.0
  Cu  Cu2  1  0.13691600  0.72353000  0.27515500  1.0
  O  O3  1  0.06347000  0.33901400  0.12830600  1.0
  O  O4  1  0.94957000  0.26081700  0.89913300  1.0
  O  O5  1  0.44689400  0.71744300  0.89416000  1.0
  O  O6  1  0.56378500  0.80834300  0.12878300  1.0
  F  F7  1  0.74215300  0.58680700  0.48650800  1.0
  F  F8  1  0.21384800  0.12885800  0.43004700  1.0