# generated using pymatgen
data_Cr4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31092804
_cell_length_b   6.31092804
_cell_length_c   6.31092804
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr4(CuO4)3
_chemical_formula_sum   'Cr4 Cu3 O12'
_cell_volume   193.48967397
_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  0.00000000  0.50000000  0.00000000  1.0
  Cr  Cr1  1  0.50000000  0.00000000  0.00000000  1.0
  Cr  Cr2  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr3  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.00000000  0.50000000  0.50000000  1.0
  O  O7  1  0.31685300  0.14072000  0.82386800  1.0
  O  O8  1  0.68314700  0.85928000  0.17613200  1.0
  O  O9  1  0.68314700  0.50701500  0.82386800  1.0
  O  O10  1  0.49298500  0.17613200  0.31685300  1.0
  O  O11  1  0.17613200  0.31685300  0.49298500  1.0
  O  O12  1  0.82386800  0.31685300  0.14072000  1.0
  O  O13  1  0.85928000  0.17613200  0.68314700  1.0
  O  O14  1  0.82386800  0.68314700  0.50701500  1.0
  O  O15  1  0.31685300  0.49298500  0.17613200  1.0
  O  O16  1  0.50701500  0.82386800  0.68314700  1.0
  O  O17  1  0.17613200  0.68314700  0.85928000  1.0
  O  O18  1  0.14072000  0.82386800  0.31685300  1.0