# generated using pymatgen
data_MgAl2(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87867970
_cell_length_b   6.51259769
_cell_length_c   5.87867310
_cell_angle_alpha   57.73560073
_cell_angle_beta   61.15953014
_cell_angle_gamma   57.73562857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2(CuO2)4
_chemical_formula_sum   'Mg1 Al2 Cu4 O8'
_cell_volume   154.67562512
_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  0.50000000  -0.00000000  0.50000000  1.0
  Al  Al1  1  0.64973598  0.53325004  0.64973598  1.0
  Al  Al2  1  0.35026402  0.46674996  0.35026402  1.0
  Cu  Cu3  1  -0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  -0.00000000  -0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  -0.00000000  0.00000000  1.0
  Cu  Cu6  1  -0.00000000  -0.00000000  0.50000000  1.0
  O  O7  1  0.27500374  0.74747099  0.72266709  1.0
  O  O8  1  0.27733291  0.25252901  0.72499626  1.0
  O  O9  1  0.23550429  0.81061059  0.23550329  1.0
  O  O10  1  0.24502851  0.32444560  0.24502751  1.0
  O  O11  1  0.72266709  0.74747099  0.27500374  1.0
  O  O12  1  0.72499626  0.25252901  0.27733291  1.0
  O  O13  1  0.76449571  0.18938941  0.76449671  1.0
  O  O14  1  0.75497149  0.67555440  0.75497249  1.0