# generated using pymatgen
data_MgCuC2S2(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02741316
_cell_length_b   5.26758182
_cell_length_c   12.38836885
_cell_angle_alpha   88.65424803
_cell_angle_beta   77.70670167
_cell_angle_gamma   62.46118609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuC2S2(OF)6
_chemical_formula_sum   'Mg1 Cu1 C2 S2 O6 F6'
_cell_volume   283.16528285
_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  0.00000000  0.50000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.00000000  1.0
  C  C2  1  0.03920000  0.70721700  0.71111000  1.0
  C  C3  1  0.96080000  0.29278300  0.28889000  1.0
  S  S4  1  0.06284200  0.22794000  0.13344000  1.0
  S  S5  1  0.93715800  0.77206000  0.86656000  1.0
  O  O6  1  0.10435500  0.93986500  0.11642100  1.0
  O  O7  1  0.89564500  0.06013500  0.88358000  1.0
  O  O8  1  0.20674600  0.53755700  0.89641600  1.0
  O  O9  1  0.65598000  0.74113500  0.89538100  1.0
  O  O10  1  0.79325400  0.46244300  0.10358400  1.0
  O  O11  1  0.34402000  0.25886500  0.10461800  1.0
  F  F12  1  0.66614500  0.34019100  0.33257100  1.0
  F  F13  1  0.33385500  0.65980900  0.66742900  1.0
  F  F14  1  0.84873800  0.94114100  0.66427500  1.0
  F  F15  1  0.01677300  0.47677300  0.67554700  1.0
  F  F16  1  0.15126200  0.05885900  0.33572500  1.0
  F  F17  1  0.98322700  0.52322700  0.32445300  1.0