# generated using pymatgen
data_Li5Ca9B7O21F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60982500
_cell_length_b   12.96559164
_cell_length_c   12.96627602
_cell_angle_alpha   60.13107829
_cell_angle_beta   88.45754454
_cell_angle_gamma   88.46534514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Ca9B7O21F2
_chemical_formula_sum   'Li5 Ca9 B7 O21 F2'
_cell_volume   526.00199802
_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
  Li  Li0  1  0.03038700  0.90747700  0.04583500  1
  Li  Li1  1  0.10043100  0.06268900  0.36644800  1
  Li  Li2  1  0.04590300  0.38633500  0.89194500  1
  Li  Li3  1  0.56272200  0.47366600  0.41489600  1
  Li  Li4  1  0.05946200  0.80922600  0.75325500  1
  Ca  Ca5  1  0.05464500  0.24031900  0.61363000  1
  Ca  Ca6  1  0.08371100  0.48619100  0.21632300  1
  Ca  Ca7  1  0.57291900  0.00780700  0.58756200  1
  Ca  Ca8  1  0.55743600  0.74619300  0.98324100  1
  Ca  Ca9  1  0.04068600  0.63682100  0.47153000  1
  Ca  Ca10  1  0.54579700  0.61037100  0.73085800  1
  Ca  Ca11  1  0.62961500  0.27341000  0.15848100  1
  Ca  Ca12  1  0.53509600  0.18178900  0.88611900  1
  Ca  Ca13  1  0.51200100  0.90731800  0.25502900  1
  B  B14  1  0.05184300  0.99787400  0.81528500  1
  B  B15  1  0.04811800  0.83434700  0.51153300  1
  B  B16  1  0.07684300  0.52794600  0.97913600  1
  B  B17  1  0.54849200  0.70664900  0.22237200  1
  B  B18  1  0.05821800  0.11677100  0.10270800  1
  B  B19  1  0.53946100  0.41283900  0.68908700  1
  B  B20  1  0.58988400  0.23949300  0.39216600  1
  O  O21  1  0.61393100  0.14111600  0.37563300  1
  O  O22  1  0.53269100  0.39651600  0.80380200  1
  O  O23  1  0.53150400  0.81961500  0.12322200  1
  O  O24  1  0.54463200  0.69376800  0.33555600  1
  O  O25  1  0.54115900  0.31231400  0.67643200  1
  O  O26  1  0.56349400  0.22184400  0.50651700  1
  O  O27  1  0.56866300  0.60691400  0.20894700  1
  O  O28  1  0.59216200  0.35241300  0.29268400  1
  O  O29  1  0.54564600  0.52677700  0.59237800  1
  O  O30  1  0.12115000  0.41032300  0.07225400  1
  O  O31  1  0.04648100  0.71663300  0.60251200  1
  O  O32  1  0.04715300  0.09196600  0.83890200  1
  O  O33  1  0.05992700  0.02364500  0.69716300  1
  O  O34  1  0.08936200  0.92504800  0.53760100  1
  O  O35  1  0.01091000  0.85915200  0.39438100  1
  O  O36  1  0.04808400  0.88085500  0.90605800  1
  O  O37  1  0.07104500  0.61831700  0.00770400  1
  O  O38  1  0.00474900  0.00467600  0.11865800  1
  O  O39  1  0.98623100  0.21685900  0.99408400  1
  O  O40  1  0.18533800  0.12872600  0.19627100  1
  O  O41  1  0.03659500  0.55228000  0.86391000  1
  F  F42  1  0.06276300  0.45425000  0.43404300  1
  F  F43  1  0.55916000  0.78874300  0.76806900  1
