# generated using pymatgen
data_Mn2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95877980
_cell_length_b   5.95877906
_cell_length_c   6.10117745
_cell_angle_alpha   120.79781246
_cell_angle_beta   120.79763494
_cell_angle_gamma   87.22966134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuO4
_chemical_formula_sum   'Mn4 Cu2 O8'
_cell_volume   152.98455892
_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  0.00002500  0.49997300  0.99996500  1.0
  Mn  Mn1  1  0.00002600  0.49997200  0.50003400  1.0
  Mn  Mn2  1  0.00001200  0.00006400  0.50003800  1.0
  Mn  Mn3  1  0.49994000  0.49999000  0.99996500  1.0
  Cu  Cu4  1  0.37480000  0.12519900  0.25000100  1.0
  Cu  Cu5  1  0.62517900  0.87482100  0.74999800  1.0
  O  O6  1  0.21630200  0.74145200  0.47886800  1.0
  O  O7  1  0.24147800  0.71629600  0.97888300  1.0
  O  O8  1  0.23744200  0.26257600  0.52113200  1.0
  O  O9  1  0.23742900  0.26256000  0.97887400  1.0
  O  O10  1  0.76254900  0.73743200  0.47886200  1.0
  O  O11  1  0.76256400  0.73744800  0.02113300  1.0
  O  O12  1  0.78370600  0.25852300  0.52112400  1.0
  O  O13  1  0.75854700  0.28369600  0.02112600  1.0