# generated using pymatgen
data_Mn5CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06899170
_cell_length_b   5.08133009
_cell_length_c   9.66626272
_cell_angle_alpha   90.07043847
_cell_angle_beta   90.14121659
_cell_angle_gamma   60.08028958
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5CuO12
_chemical_formula_sum   'Mn5 Cu1 O12'
_cell_volume   215.79316957
_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
  Mn  Mn0  1  0.16660100  0.66679800  0.50000000  1.0
  Mn  Mn1  1  0.66693200  0.66613700  0.00000000  1.0
  Mn  Mn2  1  0.33306800  0.33386300  0.00000000  1.0
  Mn  Mn3  1  0.83339900  0.33320200  0.50000000  1.0
  Mn  Mn4  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1.0
  O  O6  1  0.00041800  0.66301500  0.09990500  1.0
  O  O7  1  0.33656700  0.66301500  0.90009500  1.0
  O  O8  1  0.16644200  0.33337200  0.40069500  1.0
  O  O9  1  0.49981400  0.66662800  0.40069500  1.0
  O  O10  1  0.50018600  0.33337200  0.59930500  1.0
  O  O11  1  0.16701400  0.00000000  0.59920200  1.0
  O  O12  1  0.83355800  0.66662800  0.59930500  1.0
  O  O13  1  0.66343300  0.33698500  0.09990500  1.0
  O  O14  1  0.33357900  0.00000000  0.09875400  1.0
  O  O15  1  0.99958200  0.33698500  0.90009500  1.0
  O  O16  1  0.66642000  0.00000000  0.90124600  1.0
  O  O17  1  0.83298600  0.00000000  0.40079800  1.0