# generated using pymatgen
data_AlV4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38061229
_cell_length_b   6.38061229
_cell_length_c   6.38061275
_cell_angle_alpha   109.60916332
_cell_angle_beta   109.60916332
_cell_angle_gamma   109.60916726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV4(CuO4)3
_chemical_formula_sum   'Al1 V4 Cu3 O12'
_cell_volume   198.94231788
_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
  V  V1  1  0.50000000  0.00000000  0.00000000  1.0
  V  V2  1  0.50000000  0.50000000  0.50000000  1.0
  V  V3  1  0.00000000  0.00000000  0.50000000  1.0
  V  V4  1  0.00000000  0.50000000  0.00000000  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  0.28923300  0.11807800  0.82180000  1.0
  O  O9  1  0.71076700  0.88192200  0.17820000  1.0
  O  O10  1  0.70641800  0.53095500  0.82960700  1.0
  O  O11  1  0.88192200  0.17820000  0.71076700  1.0
  O  O12  1  0.82180000  0.28923300  0.11807800  1.0
  O  O13  1  0.17039300  0.29358200  0.46904500  1.0
  O  O14  1  0.46904500  0.17039300  0.29358200  1.0
  O  O15  1  0.17820000  0.71076700  0.88192200  1.0
  O  O16  1  0.29358200  0.46904500  0.17039300  1.0
  O  O17  1  0.11807800  0.82180000  0.28923300  1.0
  O  O18  1  0.82960700  0.70641800  0.53095500  1.0
  O  O19  1  0.53095500  0.82960700  0.70641800  1.0