# generated using pymatgen
data_MgCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61254899
_cell_length_b   5.61254899
_cell_length_c   5.61254899
_cell_angle_alpha   137.76294151
_cell_angle_beta   137.76294151
_cell_angle_gamma   61.26625922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuO2
_chemical_formula_sum   'Mg2 Cu2 O4'
_cell_volume   78.99320619
_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
  Mg  Mg0  1  0.25000000  0.75000000  0.50000000  1.0
  Mg  Mg1  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.75000000  0.25000000  0.50000000  1.0
  O  O4  1  0.73185200  0.73185200  0.00000000  1.0
  O  O5  1  0.26814800  0.26814800  0.00000000  1.0
  O  O6  1  0.48185200  0.98185200  0.50000000  1.0
  O  O7  1  0.01814800  0.51814800  0.50000000  1.0