# generated using pymatgen
data_BaCu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17960675
_cell_length_b   6.17960675
_cell_length_c   5.32346100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.62091968
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu3O4
_chemical_formula_sum   'Ba1 Cu3 O4'
_cell_volume   165.25193516
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.73365100  0.26634900  0.50000000  1.0
  Cu  Cu2  1  0.26634900  0.73365100  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.50000000  1.0
  O  O4  1  0.90945600  0.64203500  0.50000000  1.0
  O  O5  1  0.09054400  0.35796500  0.50000000  1.0
  O  O6  1  0.64203500  0.90945600  0.50000000  1.0
  O  O7  1  0.35796500  0.09054400  0.50000000  1.0