# generated using pymatgen
data_Fe2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02046483
_cell_length_b   6.02001023
_cell_length_c   6.02039288
_cell_angle_alpha   90.26600252
_cell_angle_beta   60.15591166
_cell_angle_gamma   120.45373961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuO4
_chemical_formula_sum   'Fe4 Cu2 O8'
_cell_volume   153.94746329
_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
  Fe  Fe0  1  0.74998600  0.37501100  0.87499600  1.0
  Fe  Fe1  1  0.25001000  0.37501100  0.37499800  1.0
  Fe  Fe2  1  0.75002100  0.37501600  0.37499300  1.0
  Fe  Fe3  1  0.24999200  0.87499100  0.37498000  1.0
  Cu  Cu4  1  0.99994900  0.00345000  0.99656600  1.0
  Cu  Cu5  1  0.50002800  0.74669500  0.75324100  1.0
  O  O6  1  0.77137000  0.61056600  0.61810700  1.0
  O  O7  1  0.23150000  0.61588600  0.61576100  1.0
  O  O8  1  0.76859000  0.15294700  0.61556500  1.0
  O  O9  1  0.26871000  0.13425400  0.13432100  1.0
  O  O10  1  0.72850200  0.13939100  0.13203500  1.0
  O  O11  1  0.22852100  0.61044900  0.16077400  1.0
  O  O12  1  0.27162600  0.13955000  0.58912800  1.0
  O  O13  1  0.73119500  0.59678300  0.13453500  1.0