# generated using pymatgen
data_Fe4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36761633
_cell_length_b   6.36761633
_cell_length_c   6.36761633
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4(CuO4)3
_chemical_formula_sum   'Fe4 Cu3 O12'
_cell_volume   198.75074808
_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
  Fe  Fe0  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe1  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.00000000  0.50000000  0.50000000  1.0
  O  O7  1  0.31924300  0.14370300  0.82446100  1.0
  O  O8  1  0.68075700  0.85629700  0.17553900  1.0
  O  O9  1  0.68075700  0.50521800  0.82446100  1.0
  O  O10  1  0.49478200  0.17553900  0.31924300  1.0
  O  O11  1  0.17553900  0.31924300  0.49478200  1.0
  O  O12  1  0.82446100  0.31924300  0.14370300  1.0
  O  O13  1  0.85629700  0.17553900  0.68075700  1.0
  O  O14  1  0.82446100  0.68075700  0.50521800  1.0
  O  O15  1  0.31924300  0.49478200  0.17553900  1.0
  O  O16  1  0.50521800  0.82446100  0.68075700  1.0
  O  O17  1  0.17553900  0.68075700  0.85629700  1.0
  O  O18  1  0.14370300  0.82446100  0.31924300  1.0