# generated using pymatgen
data_MgCu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23932600
_cell_length_b   4.02890000
_cell_length_c   18.65474000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu3O4
_chemical_formula_sum   'Mg3 Cu9 O12'
_cell_volume   243.46152909
_cell_formula_units_Z   3
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
  Mg  Mg0  1  0.63981500  0.50000000  0.50000000  1.0
  Mg  Mg1  1  0.35966300  0.00000000  0.75003000  1.0
  Mg  Mg2  1  0.35966300  0.00000000  0.24997000  1.0
  Cu  Cu3  1  0.18181500  0.00000000  0.91738600  1.0
  Cu  Cu4  1  0.17659000  0.00000000  0.41765800  1.0
  Cu  Cu5  1  0.18181500  0.00000000  0.08261400  1.0
  Cu  Cu6  1  0.17659000  0.00000000  0.58234200  1.0
  Cu  Cu7  1  0.81275500  0.50000000  0.83264200  1.0
  Cu  Cu8  1  0.82213900  0.50000000  0.33230400  1.0
  Cu  Cu9  1  0.82213900  0.50000000  0.66769600  1.0
  Cu  Cu10  1  0.81275500  0.50000000  0.16735800  1.0
  Cu  Cu11  1  0.65241500  0.50000000  0.00000000  1.0
  O  O12  1  0.13321900  0.50000000  0.92036300  1.0
  O  O13  1  0.12704300  0.50000000  0.42255700  1.0
  O  O14  1  0.13321900  0.50000000  0.07963700  1.0
  O  O15  1  0.12704300  0.50000000  0.57744300  1.0
  O  O16  1  0.87956300  0.00000000  0.82791500  1.0
  O  O17  1  0.87217300  0.00000000  0.32753700  1.0
  O  O18  1  0.87217300  0.00000000  0.67246300  1.0
  O  O19  1  0.87956300  0.00000000  0.17208500  1.0
  O  O20  1  0.52113300  0.00000000  0.00000000  1.0
  O  O21  1  0.53030300  0.00000000  0.50000000  1.0
  O  O22  1  0.46320500  0.50000000  0.74921600  1.0
  O  O23  1  0.46320500  0.50000000  0.25078400  1.0