# generated using pymatgen
data_AlCr4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34671913
_cell_length_b   6.34671913
_cell_length_c   6.34671913
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr4(CuO4)3
_chemical_formula_sum   'Al1 Cr4 Cu3 O12'
_cell_volume   196.80038687
_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
  Al  Al0  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr2  1  0.00000000  0.50000000  0.00000000  1.0
  Cr  Cr3  1  0.50000000  0.00000000  0.00000000  1.0
  Cr  Cr4  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu6  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu7  1  0.50000000  0.50000000  0.00000000  1.0
  O  O8  1  0.30295900  0.13877300  0.83581400  1.0
  O  O9  1  0.69704100  0.86122700  0.16418600  1.0
  O  O10  1  0.69704100  0.53285500  0.83581400  1.0
  O  O11  1  0.46714500  0.16418600  0.30295900  1.0
  O  O12  1  0.16418600  0.30295900  0.46714500  1.0
  O  O13  1  0.83581400  0.30295900  0.13877300  1.0
  O  O14  1  0.86122700  0.16418600  0.69704100  1.0
  O  O15  1  0.83581400  0.69704100  0.53285500  1.0
  O  O16  1  0.30295900  0.46714500  0.16418600  1.0
  O  O17  1  0.53285500  0.83581400  0.69704100  1.0
  O  O18  1  0.16418600  0.69704100  0.86122700  1.0
  O  O19  1  0.13877300  0.83581400  0.30295900  1.0