# generated using pymatgen
data_LiVCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07695958
_cell_length_b   6.07695958
_cell_length_c   6.07695958
_cell_angle_alpha   123.89970139
_cell_angle_beta   122.81690350
_cell_angle_gamma   84.27827991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVCuO4
_chemical_formula_sum   'Li2 V2 Cu2 O8'
_cell_volume   149.79679304
_cell_formula_units_Z   2
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  0.50000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  V  V2  1  0.13509000  0.38509000  0.75000000  1
  V  V3  1  0.86491000  0.61491000  0.25000000  1
  Cu  Cu4  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  O  O6  1  0.24976900  0.23449400  0.48472500  1
  O  O7  1  0.75023100  0.23495700  0.98472500  1
  O  O8  1  0.75023100  0.76550600  0.51527500  1
  O  O9  1  0.24976900  0.76504300  0.01527500  1
  O  O10  1  0.78777500  0.27567700  0.51209800  1
  O  O11  1  0.21222500  0.72432300  0.48790200  1
  O  O12  1  0.73642000  0.72432300  0.01209800  1
  O  O13  1  0.26358000  0.27567700  0.98790200  1
