# generated using pymatgen
data_Li4V3Cr3(CuO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83872489
_cell_length_b   5.89897127
_cell_length_c   9.75097151
_cell_angle_alpha   86.73980973
_cell_angle_beta   90.61734256
_cell_angle_gamma   120.27604439
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4V3Cr3(CuO8)2
_chemical_formula_sum   'Li4 V3 Cr3 Cu2 O16'
_cell_volume   289.50829583
_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  0.33933400  0.65615900  0.90241700  1
  Li  Li1  1  0.01541500  0.03339600  0.99531900  1
  Li  Li2  1  0.99088100  0.01510400  0.49257900  1
  Li  Li3  1  0.67717300  0.32381700  0.39458400  1
  V  V4  1  0.85095100  0.64159100  0.72677600  1
  V  V5  1  0.67469000  0.81459900  0.21055100  1
  V  V6  1  0.78880400  0.11710900  0.70277700  1
  Cr  Cr7  1  0.19224600  0.84810600  0.21746300  1
  Cr  Cr8  1  0.17278400  0.34412500  0.21302600  1
  Cr  Cr9  1  0.32900000  0.17931000  0.71295800  1
  Cu  Cu10  1  0.31177000  0.66281100  0.48347300  1
  Cu  Cu11  1  0.66186300  0.33341500  0.00074100  1
  O  O12  1  0.13776800  0.84247400  0.60784600  1
  O  O13  1  0.04195900  0.51465300  0.33283900  1
  O  O14  1  0.36255100  0.69371600  0.10558700  1
  O  O15  1  0.99612600  0.99143500  0.31216400  1
  O  O16  1  0.97572000  0.98538000  0.81143000  1
  O  O17  1  0.12845500  0.32205000  0.60520100  1
  O  O18  1  0.50050100  0.95670800  0.33899500  1
  O  O19  1  0.50403800  0.51863600  0.32617600  1
  O  O20  1  0.32735800  0.17592500  0.10166200  1
  O  O21  1  0.66046200  0.84367000  0.60348200  1
  O  O22  1  0.51724100  0.47886600  0.83152900  1
  O  O23  1  0.51752600  0.01774600  0.81996100  1
  O  O24  1  0.67691300  0.34598100  0.60827600  1
  O  O25  1  0.84718300  0.70371500  0.10562100  1
  O  O26  1  0.96760900  0.47944500  0.83805700  1
  O  O27  1  0.83368000  0.16035700  0.10635200  1
