# generated using pymatgen
data_MgCu2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02947700
_cell_length_b   5.15261754
_cell_length_c   6.73412848
_cell_angle_alpha   85.18287794
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2(O2F)2
_chemical_formula_sum   'Mg1 Cu2 O4 F2'
_cell_volume   104.74667322
_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  0.50000000  0.00836300  0.49326500  1.0
  Cu  Cu1  1  0.00000000  0.67409100  0.16767300  1.0
  Cu  Cu2  1  0.50000000  0.22748400  0.84022000  1.0
  O  O3  1  0.00000000  0.10619000  0.68699500  1.0
  O  O4  1  0.50000000  0.47444700  0.38496300  1.0
  O  O5  1  0.50000000  0.56442100  0.56114100  1.0
  O  O6  1  0.00000000  0.93171700  0.33000800  1.0
  F  F7  1  0.00000000  0.38151400  0.00333800  1.0
  F  F8  1  0.50000000  0.83382500  0.00114700  1.0