# generated using pymatgen
data_Li2V5CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67684092
_cell_length_b   6.93464559
_cell_length_c   6.93478195
_cell_angle_alpha   103.94026022
_cell_angle_beta   72.41214581
_cell_angle_gamma   107.58450330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2V5CuO12
_chemical_formula_sum   'Li2 V5 Cu1 O12'
_cell_volume   244.69302090
_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
  Li  Li0  1  0.25001300  0.28585500  0.28583100  1
  Li  Li1  1  0.74999700  0.72586600  0.72585400  1
  V  V2  1  0.25002000  0.92482000  0.92477900  1
  V  V3  1  0.73516400  0.18235600  0.62375300  1
  V  V4  1  0.76484800  0.62377600  0.18239100  1
  V  V5  1  0.20824400  0.38435800  0.83698000  1
  V  V6  1  0.29176400  0.83698000  0.38437500  1
  Cu  Cu7  1  0.74989100  0.10639700  0.10663400  1
  O  O8  1  0.64103100  0.01644700  0.80109200  1
  O  O9  1  0.85899700  0.80111100  0.01643100  1
  O  O10  1  0.67078800  0.03031400  0.39616000  1
  O  O11  1  0.82922200  0.39623600  0.03036000  1
  O  O12  1  0.16818100  0.20100600  0.00120600  1
  O  O13  1  0.33182700  0.00123700  0.20098900  1
  O  O14  1  0.56458700  0.37092100  0.69063700  1
  O  O15  1  0.93542000  0.69066800  0.37098500  1
  O  O16  1  0.07124100  0.29014600  0.59321400  1
  O  O17  1  0.42876000  0.59326500  0.29015800  1
  O  O18  1  0.31060900  0.65219600  0.88596700  1
  O  O19  1  0.18939400  0.88604100  0.65220100  1
