# generated using pymatgen
data_Mn2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96787547
_cell_length_b   5.94030769
_cell_length_c   5.93477466
_cell_angle_alpha   59.12798123
_cell_angle_beta   60.03666593
_cell_angle_gamma   59.83690732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuO4
_chemical_formula_sum   'Mn4 Cu2 O8'
_cell_volume   147.62533738
_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  0.50001400  0.99996000  0.50002600  1.0
  Mn  Mn1  1  0.99991400  0.50003200  0.50002700  1.0
  Mn  Mn2  1  0.50000400  0.50003500  0.99994700  1.0
  Mn  Mn3  1  0.50000100  0.50001800  0.50004100  1.0
  Cu  Cu4  1  0.12204000  0.12771400  0.12699600  1.0
  Cu  Cu5  1  0.87799400  0.87232300  0.87301600  1.0
  O  O6  1  0.73843600  0.73491300  0.73484800  1.0
  O  O7  1  0.26279900  0.26058600  0.71656800  1.0
  O  O8  1  0.25865100  0.71749900  0.26227000  1.0
  O  O9  1  0.70805300  0.26771900  0.26420700  1.0
  O  O10  1  0.74140700  0.28222100  0.73784200  1.0
  O  O11  1  0.29182600  0.73232500  0.73585900  1.0
  O  O12  1  0.26159800  0.26513500  0.26520800  1.0
  O  O13  1  0.73726600  0.73951400  0.28314700  1.0