# generated using pymatgen
data_Li3AlCrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96340700
_cell_length_b   5.42206600
_cell_length_c   16.07805300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3AlCrO5
_chemical_formula_sum   'Li12 Al4 Cr4 O20'
_cell_volume   432.69128154
_cell_formula_units_Z   4
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
  Li  Li0  1  0.00704800  0.67248500  0.60110100  1
  Li  Li1  1  0.00704800  0.17248400  0.89889900  1
  Li  Li2  1  0.01017100  0.66236000  0.00061000  1
  Li  Li3  1  0.01017100  0.16236000  0.49939000  1
  Li  Li4  1  0.49883600  0.33704500  0.79961000  1
  Li  Li5  1  0.49883600  0.83704500  0.70039000  1
  Li  Li6  1  0.50704800  0.32751500  0.39889900  1
  Li  Li7  1  0.50704800  0.82751500  0.10110100  1
  Li  Li8  1  0.51017100  0.33764000  0.99939000  1
  Li  Li9  1  0.51017100  0.83764000  0.50061000  1
  Li  Li10  1  0.99883600  0.16295500  0.29961000  1
  Li  Li11  1  0.99883600  0.66295500  0.20039000  1
  Al  Al12  1  0.99827400  0.17191800  0.70198500  1
  Al  Al13  1  0.99827400  0.67191800  0.79801500  1
  Al  Al14  1  0.49827400  0.32808200  0.20198500  1
  Al  Al15  1  0.49827400  0.82808200  0.29801500  1
  Cr  Cr16  1  0.00747700  0.16036900  0.09734800  1
  Cr  Cr17  1  0.00747700  0.66036900  0.40265200  1
  Cr  Cr18  1  0.50747700  0.33963100  0.59734800  1
  Cr  Cr19  1  0.50747700  0.83963100  0.90265200  1
  O  O20  1  0.09421100  0.35697400  0.78880900  1
  O  O21  1  0.09421100  0.85697400  0.71119100  1
  O  O22  1  0.11104100  0.31192800  0.00671400  1
  O  O23  1  0.11104100  0.81192800  0.49328600  1
  O  O24  1  0.10524100  0.35001600  0.39804100  1
  O  O25  1  0.10524100  0.85001600  0.10195900  1
  O  O26  1  0.13715900  0.31786500  0.19287600  1
  O  O27  1  0.13715900  0.81786500  0.30712400  1
  O  O28  1  0.13434400  0.30946900  0.61030500  1
  O  O29  1  0.13434400  0.80946900  0.88969500  1
  O  O30  1  0.59421100  0.64302600  0.21119100  1
  O  O31  1  0.59421100  0.14302600  0.28880900  1
  O  O32  1  0.61104100  0.18807200  0.50671400  1
  O  O33  1  0.61104100  0.68807200  0.99328600  1
  O  O34  1  0.60524100  0.14998400  0.89804100  1
  O  O35  1  0.60524100  0.64998400  0.60195900  1
  O  O36  1  0.63715900  0.18213500  0.69287600  1
  O  O37  1  0.63715900  0.68213500  0.80712400  1
  O  O38  1  0.63434400  0.19053100  0.11030500  1
  O  O39  1  0.63434400  0.69053100  0.38969500  1
