# generated using pymatgen
data_MgAl2(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06672700
_cell_length_b   3.06672633
_cell_length_c   14.78365900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2(CuO3)2
_chemical_formula_sum   'Mg1 Al2 Cu2 O6'
_cell_volume   120.41004591
_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  0.00000000  0.00000000  0.62248800  1.0
  Al  Al1  1  0.00000000  0.00000000  0.39559700  1.0
  Al  Al2  1  0.00000000  0.00000000  0.01256700  1.0
  Cu  Cu3  1  0.66666500  0.33333200  0.81440800  1.0
  Cu  Cu4  1  0.33333400  0.66666800  0.20934600  1.0
  O  O5  1  0.33333400  0.66666800  0.41675500  1.0
  O  O6  1  0.66666500  0.33333200  0.95032300  1.0
  O  O7  1  0.66666500  0.33333200  0.57902500  1.0
  O  O8  1  0.33333400  0.66666800  0.07633500  1.0
  O  O9  1  0.00000000  0.00000000  0.27279900  1.0
  O  O10  1  0.00000000  0.00000000  0.76345100  1.0