# generated using pymatgen
data_Mn2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07912438
_cell_length_b   6.09935643
_cell_length_c   6.08434280
_cell_angle_alpha   121.93321888
_cell_angle_beta   122.13513524
_cell_angle_gamma   86.71657898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuO4
_chemical_formula_sum   'Mn4 Cu2 O8'
_cell_volume   154.04417533
_cell_formula_units_Z   2
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  0.50002800  0.50004700  0.00000600  1.0
  Mn  Mn1  1  0.99996900  0.50007800  0.00010300  1.0
  Mn  Mn2  1  0.99991200  0.49999300  0.49989500  1.0
  Mn  Mn3  1  0.99993900  0.99985200  0.49983900  1.0
  Cu  Cu4  1  0.37424900  0.12306200  0.25116800  1.0
  Cu  Cu5  1  0.62557200  0.87682500  0.74873200  1.0
  O  O6  1  0.22185300  0.73811300  0.48455700  1.0
  O  O7  1  0.23925700  0.71409300  0.97506200  1.0
  O  O8  1  0.23934000  0.26555700  0.52528300  1.0
  O  O9  1  0.21760400  0.25005100  0.96815700  1.0
  O  O10  1  0.76065900  0.73462400  0.47501100  1.0
  O  O11  1  0.78241000  0.75006300  0.03175500  1.0
  O  O12  1  0.77848800  0.26200500  0.51566600  1.0
  O  O13  1  0.76072000  0.28563700  0.02477000  1.0