# generated using pymatgen
data_LiCaBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12726600
_cell_length_b   6.23753400
_cell_length_c   13.34483700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaBO3
_chemical_formula_sum   'Li8 Ca8 B8 O24'
_cell_volume   510.02672568
_cell_formula_units_Z   8
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  0.51559400  0.20908900  0.75198500  1
  Li  Li1  1  0.48440600  0.29091100  0.25198500  1
  Li  Li2  1  0.98440600  0.70908900  0.24801500  1
  Li  Li3  1  0.01559400  0.79091100  0.74801500  1
  Li  Li4  1  0.01559400  0.29091100  0.75198500  1
  Li  Li5  1  0.48440600  0.79091100  0.24801500  1
  Li  Li6  1  0.51559400  0.70908900  0.74801500  1
  Li  Li7  1  0.98440600  0.20908900  0.25198500  1
  Ca  Ca8  1  0.24890200  0.50962700  0.07026800  1
  Ca  Ca9  1  0.75109800  0.99037300  0.57026800  1
  Ca  Ca10  1  0.25109800  0.00962700  0.92973200  1
  Ca  Ca11  1  0.74890200  0.99037300  0.07026800  1
  Ca  Ca12  1  0.25109800  0.50962700  0.57026800  1
  Ca  Ca13  1  0.74890200  0.49037300  0.42973200  1
  Ca  Ca14  1  0.24890200  0.00962700  0.42973200  1
  Ca  Ca15  1  0.75109800  0.49037300  0.92973200  1
  B  B16  1  0.75007200  0.48250600  0.64782300  1
  B  B17  1  0.75007200  0.98250600  0.85217700  1
  B  B18  1  0.25007200  0.01749400  0.64782300  1
  B  B19  1  0.74992800  0.48250600  0.14782300  1
  B  B20  1  0.24992800  0.01749400  0.14782300  1
  B  B21  1  0.25007200  0.51749400  0.85217700  1
  B  B22  1  0.74992800  0.98250600  0.35217700  1
  B  B23  1  0.24992800  0.51749400  0.35217700  1
  O  O24  1  0.39828600  0.14425200  0.59516100  1
  O  O25  1  0.10171400  0.64425200  0.40483900  1
  O  O26  1  0.11806600  0.37383700  0.90477300  1
  O  O27  1  0.61806600  0.62616300  0.59522700  1
  O  O28  1  0.89828600  0.85574800  0.90483900  1
  O  O29  1  0.89828600  0.35574800  0.59516100  1
  O  O30  1  0.26627000  0.53479100  0.24914900  1
  O  O31  1  0.76627000  0.96520900  0.24914900  1
  O  O32  1  0.23373000  0.03479100  0.75085100  1
  O  O33  1  0.73373000  0.46520900  0.75085100  1
  O  O34  1  0.76627000  0.46520900  0.25085100  1
  O  O35  1  0.10171400  0.14425200  0.09516100  1
  O  O36  1  0.11806600  0.87383700  0.59522700  1
  O  O37  1  0.23373000  0.53479100  0.74914900  1
  O  O38  1  0.60171400  0.85574800  0.40483900  1
  O  O39  1  0.26627000  0.03479100  0.25085100  1
  O  O40  1  0.60171400  0.35574800  0.09516100  1
  O  O41  1  0.38193400  0.37383700  0.40477300  1
  O  O42  1  0.38193400  0.87383700  0.09522700  1
  O  O43  1  0.61806600  0.12616300  0.90477300  1
  O  O44  1  0.39828600  0.64425200  0.90483900  1
  O  O45  1  0.88193400  0.12616300  0.40477300  1
  O  O46  1  0.88193400  0.62616300  0.09522700  1
  O  O47  1  0.73373000  0.96520900  0.74914900  1
