# generated using pymatgen
data_BaV2Cu3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96573402
_cell_length_b   5.96573402
_cell_length_c   7.84575791
_cell_angle_alpha   65.94950553
_cell_angle_beta   114.05049447
_cell_angle_gamma   119.74960934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Cu3(HO5)2
_chemical_formula_sum   'Ba1 V2 Cu3 H2 O10'
_cell_volume   213.83034556
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.50000000  1.0
  V  V1  1  0.41440800  0.58559200  0.73037000  1.0
  V  V2  1  0.58559200  0.41440800  0.26963000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.00000000  0.00000000  1.0
  H  H6  1  0.73865500  0.26134500  0.72648800  1.0
  H  H7  1  0.26134500  0.73865500  0.27351200  1.0
  O  O8  1  0.79109700  0.20890300  0.87597500  1.0
  O  O9  1  0.20890300  0.79109700  0.12402500  1.0
  O  O10  1  0.76680500  0.71885000  0.81603000  1.0
  O  O11  1  0.28115000  0.23319500  0.81603000  1.0
  O  O12  1  0.23319500  0.28115000  0.18397000  1.0
  O  O13  1  0.71885000  0.76680500  0.18397000  1.0
  O  O14  1  0.27878500  0.72121500  0.79787300  1.0
  O  O15  1  0.72121500  0.27878500  0.20212700  1.0
  O  O16  1  0.66844000  0.33156000  0.51582700  1.0
  O  O17  1  0.33156000  0.66844000  0.48417300  1.0