# generated using pymatgen
data_BaAlCu4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98452056
_cell_length_b   5.98452056
_cell_length_c   9.91896500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlCu4O7
_chemical_formula_sum   'Ba2 Al2 Cu8 O14'
_cell_volume   307.64912870
_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
  Ba  Ba0  1  0.66666700  0.33333300  0.50279800  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.00279800  1.0
  Al  Al2  1  0.66666700  0.33333300  0.88108200  1.0
  Al  Al3  1  0.33333300  0.66666700  0.38108200  1.0
  Cu  Cu4  1  0.82265700  0.17734300  0.19106600  1.0
  Cu  Cu5  1  0.64531300  0.82265700  0.69106600  1.0
  Cu  Cu6  1  0.17734300  0.35468700  0.69106600  1.0
  Cu  Cu7  1  0.82265700  0.64531300  0.19106600  1.0
  Cu  Cu8  1  0.35468700  0.17734300  0.19106600  1.0
  Cu  Cu9  1  0.17734300  0.82265700  0.69106600  1.0
  Cu  Cu10  1  0.00000000  0.00000000  0.44085300  1.0
  Cu  Cu11  1  0.00000000  0.00000000  0.94085300  1.0
  O  O12  1  0.82021400  0.17978600  0.99425800  1.0
  O  O13  1  0.64042700  0.82021400  0.49425800  1.0
  O  O14  1  0.17978600  0.35957300  0.49425800  1.0
  O  O15  1  0.82021400  0.64042700  0.99425800  1.0
  O  O16  1  0.35957300  0.17978600  0.99425800  1.0
  O  O17  1  0.17978600  0.82021400  0.49425800  1.0
  O  O18  1  0.00000000  0.00000000  0.74696600  1.0
  O  O19  1  0.00000000  0.00000000  0.24696600  1.0
  O  O20  1  0.48498600  0.51501400  0.26877500  1.0
  O  O21  1  0.96997200  0.48498600  0.76877500  1.0
  O  O22  1  0.51501400  0.03002800  0.76877500  1.0
  O  O23  1  0.48498600  0.96997200  0.26877500  1.0
  O  O24  1  0.51501400  0.48498600  0.76877500  1.0
  O  O25  1  0.03002800  0.51501400  0.26877500  1.0