# generated using pymatgen
data_LiCaBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98795225
_cell_length_b   7.98795225
_cell_length_c   7.98795225
_cell_angle_alpha   135.04881397
_cell_angle_beta   134.62523726
_cell_angle_gamma   65.78413583
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaBO3
_chemical_formula_sum   'Li4 Ca4 B4 O12'
_cell_volume   252.42570624
_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
  Li  Li0  1  0.01944600  0.25000000  0.26944600  1
  Li  Li1  1  0.48055400  0.75000000  0.23055400  1
  Li  Li2  1  0.98055400  0.75000000  0.73055400  1
  Li  Li3  1  0.51944600  0.25000000  0.76944600  1
  Ca  Ca4  1  0.06898200  0.31898200  0.75000000  1
  Ca  Ca5  1  0.43101800  0.18101800  0.25000000  1
  Ca  Ca6  1  0.93101800  0.68101800  0.25000000  1
  Ca  Ca7  1  0.56898200  0.81898200  0.75000000  1
  B  B8  1  0.35085500  0.60085500  0.75000000  1
  B  B9  1  0.14914500  0.89914500  0.25000000  1
  B  B10  1  0.64914500  0.39914500  0.25000000  1
  B  B11  1  0.85085500  0.10085500  0.75000000  1
  O  O12  1  0.45852700  0.20612500  0.97247000  1
  O  O13  1  0.04147300  0.01394200  0.74759800  1
  O  O14  1  0.73365600  0.48605800  0.52753000  1
  O  O15  1  0.76634400  0.29387500  0.75240200  1
  O  O16  1  0.54147300  0.79387500  0.02753000  1
  O  O17  1  0.95852700  0.98605800  0.25240200  1
  O  O18  1  0.26634400  0.51394200  0.47247000  1
  O  O19  1  0.23365600  0.70612500  0.24759800  1
  O  O20  1  0.24827900  0.49827900  0.75000000  1
  O  O21  1  0.25172100  0.00172100  0.25000000  1
  O  O22  1  0.75172100  0.50172100  0.25000000  1
  O  O23  1  0.74827900  0.99827900  0.75000000  1
