# generated using pymatgen
data_MgCuH4(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05148393
_cell_length_b   6.48653145
_cell_length_c   6.48653004
_cell_angle_alpha   98.84526797
_cell_angle_beta   102.95591657
_cell_angle_gamma   102.95592514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuH4(OF)2
_chemical_formula_sum   'Mg1 Cu1 H4 O2 F2'
_cell_volume   119.09056710
_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  0.50000000  0.50000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  H  H2  1  0.90236270  0.14969315  0.64533380  1.0
  H  H3  1  0.90236270  0.64533380  0.14969315  1.0
  H  H4  1  0.09763730  0.85030685  0.35466620  1.0
  H  H5  1  0.09763730  0.35466620  0.85030685  1.0
  O  O6  1  1.00000000  0.80590062  0.19409938  1.0
  O  O7  1  0.00000000  0.19409938  0.80590062  1.0
  F  F8  1  0.14986215  0.65798656  0.65798656  1.0
  F  F9  1  0.85013785  0.34201344  0.34201344  1.0