# generated using pymatgen
data_BaLiCaVP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22144400
_cell_length_b   7.44198500
_cell_length_c   14.87731724
_cell_angle_alpha   78.83174796
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiCaVP2O9
_chemical_formula_sum   'Ba4 Li4 Ca4 V4 P8 O36'
_cell_volume   784.39387862
_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
  Ba  Ba0  1  0.73095000  0.62766400  0.42266400  1
  Ba  Ba1  1  0.76905000  0.62766400  0.92266400  1
  Ba  Ba2  1  0.23095000  0.37233600  0.07733600  1
  Ba  Ba3  1  0.26905000  0.37233600  0.57733600  1
  Li  Li4  1  0.21447400  0.90312000  0.29671800  1
  Li  Li5  1  0.28552600  0.90312000  0.79671800  1
  Li  Li6  1  0.71447400  0.09688000  0.20328200  1
  Li  Li7  1  0.78552600  0.09688000  0.70328200  1
  Ca  Ca8  1  0.97499700  0.80897700  0.15728600  1
  Ca  Ca9  1  0.52500300  0.80897700  0.65728600  1
  Ca  Ca10  1  0.47499700  0.19102300  0.34271400  1
  Ca  Ca11  1  0.02500300  0.19102300  0.84271400  1
  V  V12  1  0.47942700  0.83835500  0.15898300  1
  V  V13  1  0.02057300  0.83835500  0.65898300  1
  V  V14  1  0.97942700  0.16164500  0.34101700  1
  V  V15  1  0.52057300  0.16164500  0.84101700  1
  P  P16  1  0.26871300  0.87589500  0.00285600  1
  P  P17  1  0.23128700  0.87589500  0.50285600  1
  P  P18  1  0.22419200  0.53403000  0.30112000  1
  P  P19  1  0.72419200  0.46597000  0.19888000  1
  P  P20  1  0.27580800  0.53403000  0.80112000  1
  P  P21  1  0.77580800  0.46597000  0.69888000  1
  P  P22  1  0.76871300  0.12410500  0.49714400  1
  P  P23  1  0.73128700  0.12410500  0.99714400  1
  O  O24  1  0.47599200  0.97445900  0.25209500  1
  O  O25  1  0.26536500  0.99130400  0.08138500  1
  O  O26  1  0.70846900  0.99386700  0.09256300  1
  O  O27  1  0.02400800  0.97445900  0.75209500  1
  O  O28  1  0.23463500  0.99130400  0.58138500  1
  O  O29  1  0.79153100  0.99386700  0.59256300  1
  O  O30  1  0.08378900  0.77296900  0.00614900  1
  O  O31  1  0.05844200  0.63771800  0.33008800  1
  O  O32  1  0.43778000  0.74527900  0.02767900  1
  O  O33  1  0.67925900  0.66029100  0.22010000  1
  O  O34  1  0.27791800  0.65310400  0.20505800  1
  O  O35  1  0.38299800  0.50223800  0.37133400  1
  O  O36  1  0.41621100  0.77296900  0.50614900  1
  O  O37  1  0.44155800  0.63771800  0.83008800  1
  O  O38  1  0.06222000  0.74527900  0.52767900  1
  O  O39  1  0.82074100  0.66029100  0.72010000  1
  O  O40  1  0.88299800  0.49776200  0.12866600  1
  O  O41  1  0.22208200  0.65310400  0.70505800  1
  O  O42  1  0.77791800  0.34689600  0.29494200  1
  O  O43  1  0.11700200  0.50223800  0.87133400  1
  O  O44  1  0.17925900  0.33970900  0.27990000  1
  O  O45  1  0.93778000  0.25472100  0.47232100  1
  O  O46  1  0.55844200  0.36228200  0.16991200  1
  O  O47  1  0.58378900  0.22703100  0.49385100  1
  O  O48  1  0.61700200  0.49776200  0.62866600  1
  O  O49  1  0.72208200  0.34689600  0.79494200  1
  O  O50  1  0.32074100  0.33970900  0.77990000  1
  O  O51  1  0.56222000  0.25472100  0.97232100  1
  O  O52  1  0.94155800  0.36228200  0.66991200  1
  O  O53  1  0.91621100  0.22703100  0.99385100  1
  O  O54  1  0.20846900  0.00613300  0.40743700  1
  O  O55  1  0.76536500  0.00869600  0.41861500  1
  O  O56  1  0.97599200  0.02554100  0.24790500  1
  O  O57  1  0.29153100  0.00613300  0.90743700  1
  O  O58  1  0.73463500  0.00869600  0.91861500  1
  O  O59  1  0.52400800  0.02554100  0.74790500  1
