# generated using pymatgen
data_LiCrBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29307800
_cell_length_b   8.25047201
_cell_length_c   8.25082647
_cell_angle_alpha   59.99580106
_cell_angle_beta   90.00048536
_cell_angle_gamma   90.00005510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrBO3
_chemical_formula_sum   'Li6 Cr6 B6 O18'
_cell_volume   370.98095745
_cell_formula_units_Z   6
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  0.25000900  0.26982100  0.01875200  1
  Li  Li1  1  0.74999300  0.26982300  0.01875100  1
  Li  Li2  1  0.24999800  0.71149600  0.26974300  1
  Li  Li3  1  0.75000400  0.71149300  0.26974500  1
  Li  Li4  1  0.24999200  0.01873700  0.71145900  1
  Li  Li5  1  0.75001000  0.01873700  0.71146000  1
  Cr  Cr6  1  0.50003900  0.39287700  0.62446900  1
  Cr  Cr7  1  0.49999000  0.62453200  0.98270400  1
  Cr  Cr8  1  0.99998700  0.98245800  0.39301200  1
  Cr  Cr9  1  0.00003900  0.39285000  0.62453000  1
  Cr  Cr10  1  0.99998000  0.62447300  0.98270700  1
  Cr  Cr11  1  0.49998000  0.98244000  0.39300600  1
  B  B12  1  0.25000500  0.66662800  0.66662300  1
  B  B13  1  0.74999600  0.66663000  0.66662100  1
  B  B14  1  0.00000200  0.00006100  0.00003000  1
  B  B15  1  0.50000100  0.00005600  0.00002400  1
  B  B16  1  0.25000700  0.33337900  0.33330600  1
  B  B17  1  0.74999200  0.33337700  0.33330500  1
  O  O18  1  0.25003500  0.47283400  0.74433900  1
  O  O19  1  0.74996900  0.47284000  0.74433000  1
  O  O20  1  0.24998700  0.78278600  0.47272800  1
  O  O21  1  0.75000000  0.78278600  0.47272200  1
  O  O22  1  0.24998000  0.74437900  0.78268800  1
  O  O23  1  0.75002300  0.74437700  0.78269200  1
  O  O24  1  0.99999600  0.11360100  0.08100500  1
  O  O25  1  0.49999800  0.11358700  0.08100700  1
  O  O26  1  0.00000900  0.08103000  0.80555800  1
  O  O27  1  0.49999500  0.08101900  0.80554700  1
  O  O28  1  0.99999900  0.80554400  0.11355900  1
  O  O29  1  0.50000100  0.80554400  0.11356400  1
  O  O30  1  0.25000900  0.13963200  0.41917600  1
  O  O31  1  0.74997100  0.13962500  0.41918300  1
  O  O32  1  0.25002900  0.44118400  0.13967100  1
  O  O33  1  0.74997800  0.44118500  0.13967200  1
  O  O34  1  0.24997300  0.41909000  0.44115700  1
  O  O35  1  0.75002300  0.41908700  0.44115300  1
