# generated using pymatgen
data_Cr4CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73129182
_cell_length_b   6.73129105
_cell_length_c   5.75965528
_cell_angle_alpha   75.62267170
_cell_angle_beta   104.37732731
_cell_angle_gamma   95.61705482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr4CuO12
_chemical_formula_sum   'Cr4 Cu1 O12'
_cell_volume   244.69858047
_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
  Cr  Cr0  1  0.20494500  0.61074900  0.76728800  1.0
  Cr  Cr1  1  0.38937200  0.80138700  0.27115300  1.0
  Cr  Cr2  1  0.61074900  0.20494500  0.73271200  1.0
  Cr  Cr3  1  0.80138700  0.38937200  0.22884700  1.0
  Cu  Cu4  1  0.91144200  0.91144200  0.25000000  1.0
  O  O5  1  0.03035400  0.77933000  0.64013300  1.0
  O  O6  1  0.09651400  0.38700900  0.80819400  1.0
  O  O7  1  0.20395100  0.96133300  0.18891900  1.0
  O  O8  1  0.35803600  0.63136500  0.55737500  1.0
  O  O9  1  0.38700900  0.09651400  0.69180600  1.0
  O  O10  1  0.35365200  0.64609800  0.04980500  1.0
  O  O11  1  0.63136500  0.35803600  0.94262500  1.0
  O  O12  1  0.62182900  0.91072500  0.30015700  1.0
  O  O13  1  0.64609800  0.35365200  0.45019500  1.0
  O  O14  1  0.77933000  0.03035400  0.85986700  1.0
  O  O15  1  0.91072500  0.62182900  0.19984300  1.0
  O  O16  1  0.96133300  0.20395100  0.31108100  1.0