# generated using pymatgen
data_MgAl4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34435286
_cell_length_b   6.34435314
_cell_length_c   6.34435400
_cell_angle_alpha   60.00000597
_cell_angle_beta   60.00000450
_cell_angle_gamma   60.00000446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl4(CuO4)2
_chemical_formula_sum   'Mg1 Al4 Cu2 O8'
_cell_volume   180.57064012
_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  0.37500000  0.37500000  0.37500000  1.0
  Al  Al1  1  0.51978000  0.94066000  0.51978000  1.0
  Al  Al2  1  0.94066000  0.51978000  0.51978000  1.0
  Al  Al3  1  0.51978000  0.51978000  0.94066000  1.0
  Al  Al4  1  0.51978000  0.51978000  0.51978000  1.0
  Cu  Cu5  1  0.12500000  0.12500000  0.12500000  1.0
  Cu  Cu6  1  0.87500000  0.87500000  0.87500000  1.0
  O  O7  1  0.72819600  0.72819600  0.72819600  1.0
  O  O8  1  0.25943700  0.25943700  0.72168600  1.0
  O  O9  1  0.25943700  0.72168600  0.25943700  1.0
  O  O10  1  0.72168600  0.25943700  0.25943700  1.0
  O  O11  1  0.72819600  0.31541400  0.72819600  1.0
  O  O12  1  0.31541400  0.72819600  0.72819600  1.0
  O  O13  1  0.25943700  0.25943700  0.25943700  1.0
  O  O14  1  0.72819600  0.72819600  0.31541400  1.0