# generated using pymatgen
data_Cr2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92625371
_cell_length_b   5.92629044
_cell_length_c   5.92628632
_cell_angle_alpha   92.77243569
_cell_angle_beta   118.41258957
_cell_angle_gamma   118.41256827
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuO4
_chemical_formula_sum   'Cr4 Cu2 O8'
_cell_volume   150.51427845
_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
  Cr  Cr0  1  0.25000500  0.87500200  0.62499500  1.0
  Cr  Cr1  1  0.74999300  0.37499100  0.62499600  1.0
  Cr  Cr2  1  0.74999600  0.37500400  0.12499900  1.0
  Cr  Cr3  1  0.25000500  0.37500400  0.62500800  1.0
  Cu  Cu4  1  0.50000000  0.74999800  0.25000200  1.0
  Cu  Cu5  1  0.00000100  0.00000200  0.99999900  1.0
  O  O6  1  0.21939400  0.59891900  0.37952500  1.0
  O  O7  1  0.78060600  0.16013000  0.37952400  1.0
  O  O8  1  0.71941200  0.58989700  0.87048700  1.0
  O  O9  1  0.28058900  0.15107500  0.87048600  1.0
  O  O10  1  0.78060600  0.62047500  0.40108100  1.0
  O  O11  1  0.21939500  0.62047600  0.83987000  1.0
  O  O12  1  0.28058800  0.12951300  0.41010200  1.0
  O  O13  1  0.71941100  0.12951400  0.84892500  1.0