# generated using pymatgen
data_Li3Mn5(CuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17573955
_cell_length_b   5.17574029
_cell_length_c   9.75420782
_cell_angle_alpha   85.77704517
_cell_angle_beta   94.22295887
_cell_angle_gamma   62.08941745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn5(CuO6)2
_chemical_formula_sum   'Li3 Mn5 Cu2 O12'
_cell_volume   228.53796166
_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
  Li  Li0  1  0.32346500  0.86047900  0.98634000  1
  Li  Li1  1  0.86047900  0.32346500  0.51366000  1
  Li  Li2  1  0.91846400  0.91846400  0.75000000  1
  Mn  Mn3  1  0.07526100  0.07526100  0.25000000  1
  Mn  Mn4  1  0.41045600  0.41045600  0.25000000  1
  Mn  Mn5  1  0.58251000  0.58251000  0.75000000  1
  Mn  Mn6  1  0.50370100  0.99783500  0.50705400  1
  Mn  Mn7  1  0.99783500  0.50370100  0.99294600  1
  Cu  Cu8  1  0.26402600  0.26402600  0.75000000  1
  Cu  Cu9  1  0.74916100  0.74916100  0.25000000  1
  O  O10  1  0.16778000  0.31397800  0.38254800  1
  O  O11  1  0.06889700  0.74320800  0.13857100  1
  O  O12  1  0.31397800  0.16778000  0.11745200  1
  O  O13  1  0.28728200  0.55346000  0.85697400  1
  O  O14  1  0.25570700  0.96281900  0.64469600  1
  O  O15  1  0.55346000  0.28728200  0.64302600  1
  O  O16  1  0.43198100  0.73732800  0.34968000  1
  O  O17  1  0.74320800  0.06889700  0.36142900  1
  O  O18  1  0.73732800  0.43198100  0.15032000  1
  O  O19  1  0.65673200  0.80945000  0.88221700  1
  O  O20  1  0.96281900  0.25570700  0.85530400  1
  O  O21  1  0.80945000  0.65673200  0.61778300  1
