# generated using pymatgen
data_Mg4CuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83841810
_cell_length_b   10.83841810
_cell_length_c   10.83841810
_cell_angle_alpha   164.04761910
_cell_angle_beta   164.04761910
_cell_angle_gamma   22.63416546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4CuO5
_chemical_formula_sum   'Mg4 Cu1 O5'
_cell_volume   96.15428442
_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
  Mg  Mg0  1  0.40112200  0.40112200  0.00000000  1.0
  Mg  Mg1  1  0.79972200  0.79972200  0.00000000  1.0
  Mg  Mg2  1  0.20027800  0.20027800  0.00000000  1.0
  Mg  Mg3  1  0.59887800  0.59887800  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  O  O5  1  0.10078600  0.10078600  0.00000000  1.0
  O  O6  1  0.50000000  0.50000000  0.00000000  1.0
  O  O7  1  0.89921400  0.89921400  0.00000000  1.0
  O  O8  1  0.30006200  0.30006200  0.00000000  1.0
  O  O9  1  0.69993800  0.69993800  0.00000000  1.0