# generated using pymatgen
data_Mn3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83855115
_cell_length_b   5.83855115
_cell_length_c   5.83855069
_cell_angle_alpha   60.25413060
_cell_angle_beta   60.25413060
_cell_angle_gamma   60.25413388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3CuO8
_chemical_formula_sum   'Mn3 Cu1 O8'
_cell_volume   141.54396443
_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  0.00000000  1.0
  Mn  Mn1  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.26560500  0.26560500  0.26560500  1.0
  O  O5  1  0.76351400  0.76351400  0.27029000  1.0
  O  O6  1  0.27029000  0.76351400  0.76351400  1.0
  O  O7  1  0.73439500  0.73439500  0.73439500  1.0
  O  O8  1  0.76351400  0.27029000  0.76351400  1.0
  O  O9  1  0.23648600  0.23648600  0.72971000  1.0
  O  O10  1  0.72971000  0.23648600  0.23648600  1.0
  O  O11  1  0.23648600  0.72971000  0.23648600  1.0