# generated using pymatgen
data_Mn2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11319617
_cell_length_b   6.11319617
_cell_length_c   14.74257279
_cell_angle_alpha   87.05947953
_cell_angle_beta   87.05947953
_cell_angle_gamma   58.12699615
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuO4
_chemical_formula_sum   'Mn12 Cu6 O24'
_cell_volume   467.06918480
_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
  Mn  Mn0  1  0.00514800  0.00514800  0.00435800  1.0
  Mn  Mn1  1  0.33510800  0.83139400  0.79139500  1.0
  Mn  Mn2  1  0.83139400  0.33510800  0.79139500  1.0
  Mn  Mn3  1  0.33910400  0.33910400  0.67034300  1.0
  Mn  Mn4  1  0.83239200  0.83239200  0.79252800  1.0
  Mn  Mn5  1  0.67024700  0.16751100  0.45804800  1.0
  Mn  Mn6  1  0.16751100  0.67024700  0.45804800  1.0
  Mn  Mn7  1  0.16708800  0.16708800  0.45904500  1.0
  Mn  Mn8  1  0.99843400  0.49838200  0.12538100  1.0
  Mn  Mn9  1  0.49838200  0.99843400  0.12538100  1.0
  Mn  Mn10  1  0.33269100  0.33269100  0.29222800  1.0
  Mn  Mn11  1  0.49911800  0.49911800  0.12579100  1.0
  Cu  Cu12  1  0.32996700  0.32996700  0.91303300  1.0
  Cu  Cu13  1  0.66514400  0.66514400  0.57772500  1.0
  Cu  Cu14  1  0.66641800  0.66641800  0.95778300  1.0
  Cu  Cu15  1  0.99625900  0.99625900  0.24893700  1.0
  Cu  Cu16  1  0.00161800  0.00161800  0.62437900  1.0
  Cu  Cu17  1  0.66953700  0.66953700  0.33571300  1.0
  O  O18  1  0.50760100  0.50760100  0.86627300  1.0
  O  O19  1  0.50774900  0.96486300  0.86527200  1.0
  O  O20  1  0.65590100  0.65590100  0.71570500  1.0
  O  O21  1  0.84426900  0.84426900  0.53477400  1.0
  O  O22  1  0.70407200  0.15460900  0.71824100  1.0
  O  O23  1  0.96486300  0.50774900  0.86527200  1.0
  O  O24  1  0.00944100  0.00944100  0.86592700  1.0
  O  O25  1  0.84610300  0.30303000  0.53354000  1.0
  O  O26  1  0.15460900  0.70407200  0.71824100  1.0
  O  O27  1  0.99284100  0.99284100  0.38359300  1.0
  O  O28  1  0.17534500  0.17534500  0.20034000  1.0
  O  O29  1  0.03641000  0.48622800  0.38032000  1.0
  O  O30  1  0.15567700  0.15567700  0.71604800  1.0
  O  O31  1  0.30303000  0.84610300  0.53354000  1.0
  O  O32  1  0.34267400  0.34267400  0.53130900  1.0
  O  O33  1  0.17863800  0.62849800  0.20217900  1.0
  O  O34  1  0.48622800  0.03641000  0.38032000  1.0
  O  O35  1  0.32506500  0.32506500  0.04914300  1.0
  O  O36  1  0.62849800  0.17863800  0.20217900  1.0
  O  O37  1  0.49038500  0.49038500  0.38086000  1.0
  O  O38  1  0.36978200  0.81887000  0.05111200  1.0
  O  O39  1  0.67355400  0.67355400  0.20123300  1.0
  O  O40  1  0.81887000  0.36978200  0.05111200  1.0
  O  O41  1  0.82292200  0.82292200  0.05195000  1.0