# generated using pymatgen
data_Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94437101
_cell_length_b   5.94425588
_cell_length_c   17.72951204
_cell_angle_alpha   59.80137866
_cell_angle_beta   59.79965464
_cell_angle_gamma   59.99587280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(CuO2)2
_chemical_formula_sum   'Mg6 Cu12 O24'
_cell_volume   441.62702384
_cell_formula_units_Z   6
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  0.11798300  0.11812600  0.04864400  1.0
  Mg  Mg1  1  0.11944400  0.11959400  0.38050100  1.0
  Mg  Mg2  1  0.49871600  0.49872000  0.33465600  1.0
  Mg  Mg3  1  0.12064200  0.12065100  0.71269900  1.0
  Mg  Mg4  1  0.49886700  0.49876900  0.00109700  1.0
  Mg  Mg5  1  0.87725100  0.87722600  0.62278600  1.0
  Cu  Cu6  1  0.49884000  0.49884200  0.16688000  1.0
  Cu  Cu7  1  0.49892700  0.00166700  0.16685100  1.0
  Cu  Cu8  1  0.49978700  0.49980500  0.49962100  1.0
  Cu  Cu9  1  0.00175800  0.49888400  0.16684900  1.0
  Cu  Cu10  1  0.49988100  0.00148900  0.49961900  1.0
  Cu  Cu11  1  0.50075500  0.50076200  0.66591700  1.0
  Cu  Cu12  1  0.87992800  0.87982800  0.28677900  1.0
  Cu  Cu13  1  0.49894900  0.49894900  0.83403200  1.0
  Cu  Cu14  1  0.00146500  0.49990700  0.49961300  1.0
  Cu  Cu15  1  0.49895300  0.99986700  0.83404800  1.0
  Cu  Cu16  1  0.99989900  0.49895500  0.83404700  1.0
  Cu  Cu17  1  0.87754000  0.87746900  0.95580700  1.0
  O  O18  1  0.25625800  0.25642500  0.09202000  1.0
  O  O19  1  0.25605600  0.25638200  0.24373300  1.0
  O  O20  1  0.25639000  0.71111600  0.09213500  1.0
  O  O21  1  0.71101900  0.25653400  0.09214300  1.0
  O  O22  1  0.25522200  0.25524700  0.42524300  1.0
  O  O23  1  0.28587900  0.74648700  0.24020600  1.0
  O  O24  1  0.25744100  0.25756100  0.57573900  1.0
  O  O25  1  0.74666500  0.28583400  0.24019300  1.0
  O  O26  1  0.74603700  0.74559200  0.08758400  1.0
  O  O27  1  0.25522500  0.71398700  0.42523900  1.0
  O  O28  1  0.71390800  0.25527900  0.42523400  1.0
  O  O29  1  0.74675300  0.74656200  0.24032900  1.0
  O  O30  1  0.26369200  0.26339200  0.75346800  1.0
  O  O31  1  0.28920600  0.73934200  0.57728600  1.0
  O  O32  1  0.73937100  0.28922100  0.57726700  1.0
  O  O33  1  0.25855400  0.25849700  0.90811800  1.0
  O  O34  1  0.74729300  0.74724900  0.41954900  1.0
  O  O35  1  0.26358000  0.71273900  0.75334000  1.0
  O  O36  1  0.71265100  0.26337400  0.75339900  1.0
  O  O37  1  0.73947800  0.73944400  0.57729200  1.0
  O  O38  1  0.27766200  0.74696000  0.90960200  1.0
  O  O39  1  0.74676000  0.27754400  0.90965900  1.0
  O  O40  1  0.73871100  0.73877100  0.76120400  1.0
  O  O41  1  0.74660600  0.74694900  0.90957100  1.0