# generated using pymatgen
data_Cr2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88762694
_cell_length_b   5.88700703
_cell_length_c   6.09933072
_cell_angle_alpha   58.83991445
_cell_angle_beta   58.82803304
_cell_angle_gamma   85.80131737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuO4
_chemical_formula_sum   'Cr4 Cu2 O8'
_cell_volume   149.21782460
_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  0.62503800  0.87502100  0.74996500  1.0
  Cr  Cr1  1  0.12498500  0.37498900  0.25001900  1.0
  Cr  Cr2  1  0.62496900  0.37501300  0.25003400  1.0
  Cr  Cr3  1  0.62494400  0.37502700  0.75000000  1.0
  Cu  Cu4  1  0.00612200  0.99371700  0.99999100  1.0
  Cu  Cu5  1  0.25453000  0.74563300  0.49997200  1.0
  O  O6  1  0.40707200  0.15856500  0.21713500  1.0
  O  O7  1  0.37297500  0.62692300  0.78297900  1.0
  O  O8  1  0.87434500  0.12576900  0.71731400  1.0
  O  O9  1  0.84005800  0.59380900  0.28311700  1.0
  O  O10  1  0.84146600  0.59293500  0.78286400  1.0
  O  O11  1  0.37310200  0.62704200  0.21703500  1.0
  O  O12  1  0.87426000  0.12564500  0.28266600  1.0
  O  O13  1  0.40613400  0.15991100  0.71691100  1.0