# generated using pymatgen
data_Cr2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86896584
_cell_length_b   5.86891172
_cell_length_c   5.86895944
_cell_angle_alpha   60.00174438
_cell_angle_beta   60.00201618
_cell_angle_gamma   60.00197678
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuO4
_chemical_formula_sum   'Cr4 Cu2 O8'
_cell_volume   142.94998011
_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  0.50000000  0.00000000  0.50000000  1.0
  Cr  Cr1  1  -0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr2  1  0.50000000  0.50000000  -0.00000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.87499659  0.87500406  0.87500272  1.0
  Cu  Cu5  1  0.12500341  0.12499594  0.12499728  1.0
  O  O6  1  0.73708713  0.73711436  0.73710686  1.0
  O  O7  1  0.26291815  0.26289115  0.71130287  1.0
  O  O8  1  0.26291416  0.71130540  0.26289545  1.0
  O  O9  1  0.71129438  0.26289944  0.26290802  1.0
  O  O10  1  0.73708584  0.28869460  0.73710455  1.0
  O  O11  1  0.28870562  0.73710056  0.73709198  1.0
  O  O12  1  0.26291287  0.26288564  0.26289314  1.0
  O  O13  1  0.73708185  0.73710885  0.28869713  1.0