# generated using pymatgen
data_Mn4CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01074204
_cell_length_b   6.01074204
_cell_length_c   6.01617990
_cell_angle_alpha   60.96288692
_cell_angle_beta   60.96288692
_cell_angle_gamma   57.87259912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4CuO8
_chemical_formula_sum   'Mn4 Cu1 O8'
_cell_volume   153.16928980
_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  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn2  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn3  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu4  1  0.50000000  0.50000000  0.00000000  1.0
  O  O5  1  0.73741200  0.73741200  0.80151800  1.0
  O  O6  1  0.72022600  0.22213100  0.80200300  1.0
  O  O7  1  0.22213100  0.72022600  0.80200300  1.0
  O  O8  1  0.25750900  0.25750900  0.77945600  1.0
  O  O9  1  0.74249100  0.74249100  0.22054400  1.0
  O  O10  1  0.77786900  0.27977400  0.19799700  1.0
  O  O11  1  0.27977400  0.77786900  0.19799700  1.0
  O  O12  1  0.26258800  0.26258800  0.19848200  1.0