# generated using pymatgen
data_Li2Ca3Be3Si3(O6F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.25927422
_cell_length_b   11.25927422
_cell_length_c   11.25927422
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ca3Be3Si3(O6F)2
_chemical_formula_sum   'Li8 Ca12 Be12 Si12 O48 F8'
_cell_volume   1098.77633817
_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  0.00000000  0.03944300  0.50000000  1
  Li  Li1  1  0.50000000  0.00000000  0.03944300  1
  Li  Li2  1  0.03944300  0.50000000  0.00000000  1
  Li  Li3  1  0.54286700  0.50000000  0.00000000  1
  Li  Li4  1  0.50000000  0.00000000  0.54286700  1
  Li  Li5  1  0.95713300  0.95713300  0.95713300  1
  Li  Li6  1  0.46055700  0.46055700  0.46055700  1
  Li  Li7  1  0.00000000  0.54286700  0.50000000  1
  Ca  Ca8  1  0.16398200  0.41398200  0.75000000  1
  Ca  Ca9  1  0.84414400  0.75000000  0.59414400  1
  Ca  Ca10  1  0.90585600  0.65585600  0.25000000  1
  Ca  Ca11  1  0.59414400  0.84414400  0.75000000  1
  Ca  Ca12  1  0.41398200  0.75000000  0.16398200  1
  Ca  Ca13  1  0.33601800  0.08601800  0.25000000  1
  Ca  Ca14  1  0.75000000  0.59414400  0.84414400  1
  Ca  Ca15  1  0.25000000  0.90585600  0.65585600  1
  Ca  Ca16  1  0.25000000  0.33601800  0.08601800  1
  Ca  Ca17  1  0.75000000  0.16398200  0.41398200  1
  Ca  Ca18  1  0.65585600  0.25000000  0.90585600  1
  Ca  Ca19  1  0.08601800  0.25000000  0.33601800  1
  Be  Be20  1  0.46474100  0.70112700  0.42442000  1
  Be  Be21  1  0.79887300  0.26361400  0.72329400  1
  Be  Be22  1  0.04032000  0.07558000  0.77670600  1
  Be  Be23  1  0.07558000  0.77670600  0.04032000  1
  Be  Be24  1  0.42442000  0.46474100  0.70112700  1
  Be  Be25  1  0.45968000  0.23638600  0.03525900  1
  Be  Be26  1  0.70112700  0.42442000  0.46474100  1
  Be  Be27  1  0.03525900  0.45968000  0.23638600  1
  Be  Be28  1  0.26361400  0.72329400  0.79887300  1
  Be  Be29  1  0.77670600  0.04032000  0.07558000  1
  Be  Be30  1  0.72329400  0.79887300  0.26361400  1
  Be  Be31  1  0.23638600  0.03525900  0.45968000  1
  Si  Si32  1  0.95606300  0.53160000  0.73541100  1
  Si  Si33  1  0.92446300  0.20381100  0.96840000  1
  Si  Si34  1  0.96840000  0.92446300  0.20381100  1
  Si  Si35  1  0.57553700  0.54393700  0.27934800  1
  Si  Si36  1  0.54393700  0.27934800  0.57553700  1
  Si  Si37  1  0.29618900  0.22065200  0.76458900  1
  Si  Si38  1  0.53160000  0.73541100  0.95606300  1
  Si  Si39  1  0.73541100  0.95606300  0.53160000  1
  Si  Si40  1  0.22065200  0.76458900  0.29618900  1
  Si  Si41  1  0.20381100  0.96840000  0.92446300  1
  Si  Si42  1  0.76458900  0.29618900  0.22065200  1
  Si  Si43  1  0.27934800  0.57553700  0.54393700  1
  O  O44  1  0.63865800  0.82407300  0.54892100  1
  O  O45  1  0.67592700  0.31458500  0.72484700  1
  O  O46  1  0.36016300  0.68553600  0.91003400  1
  O  O47  1  0.31458500  0.72484700  0.67592700  1
  O  O48  1  0.77515300  0.08973700  0.95107900  1
  O  O49  1  0.86134200  0.41026300  0.18541500  1
  O  O50  1  0.91003400  0.36016300  0.68553600  1
  O  O51  1  0.90395400  0.99219700  0.61287700  1
  O  O52  1  0.99219700  0.61287700  0.90395400  1
  O  O53  1  0.04987100  0.32537300  0.13983700  1
  O  O54  1  0.38055800  0.38479600  0.79004800  1
  O  O55  1  0.17462700  0.22449800  0.81446400  1
  O  O56  1  0.54892100  0.63865800  0.82407300  1
  O  O57  1  0.27550200  0.45012900  0.58996600  1
  O  O58  1  0.68553600  0.91003400  0.36016300  1
  O  O59  1  0.11520400  0.49576200  0.40525200  1
  O  O60  1  0.49576200  0.40525200  0.11520400  1
  O  O61  1  0.61287700  0.90395400  0.99219700  1
  O  O62  1  0.08824200  0.59604600  0.20892300  1
  O  O63  1  0.32537300  0.13983700  0.04987100  1
  O  O64  1  0.90949000  0.00423800  0.11944200  1
  O  O65  1  0.95107900  0.77515300  0.08973700  1
  O  O66  1  0.41175800  0.62068000  0.50780300  1
  O  O67  1  0.79004800  0.38055800  0.38479600  1
  O  O68  1  0.38479600  0.79004800  0.38055800  1
  O  O69  1  0.09474800  0.59051000  0.70995200  1
  O  O70  1  0.20892300  0.08824200  0.59604600  1
  O  O71  1  0.41026300  0.18541500  0.86134200  1
  O  O72  1  0.45012900  0.58996600  0.27550200  1
  O  O73  1  0.70995200  0.09474800  0.59051000  1
  O  O74  1  0.18541500  0.86134200  0.41026300  1
  O  O75  1  0.62068000  0.50780300  0.41175800  1
  O  O76  1  0.87932000  0.29107700  0.88712300  1
  O  O77  1  0.59604600  0.20892300  0.08824200  1
  O  O78  1  0.08973700  0.95107900  0.77515300  1
  O  O79  1  0.40525200  0.11520400  0.49576200  1
  O  O80  1  0.50780300  0.41175800  0.62068000  1
  O  O81  1  0.11944200  0.90949000  0.00423800  1
  O  O82  1  0.22449800  0.81446400  0.17462700  1
  O  O83  1  0.58996600  0.27550200  0.45012900  1
  O  O84  1  0.29107700  0.88712300  0.87932000  1
  O  O85  1  0.13983700  0.04987100  0.32537300  1
  O  O86  1  0.59051000  0.70995200  0.09474800  1
  O  O87  1  0.72484700  0.67592700  0.31458500  1
  O  O88  1  0.82407300  0.54892100  0.63865800  1
  O  O89  1  0.81446400  0.17462700  0.22449800  1
  O  O90  1  0.00423800  0.11944200  0.90949000  1
  O  O91  1  0.88712300  0.87932000  0.29107700  1
  F  F92  1  0.00000000  0.21003100  0.50000000  1
  F  F93  1  0.71004400  0.50000000  0.00000000  1
  F  F94  1  0.50000000  0.00000000  0.71004400  1
  F  F95  1  0.00000000  0.71004400  0.50000000  1
  F  F96  1  0.21003100  0.50000000  0.00000000  1
  F  F97  1  0.50000000  0.00000000  0.21003100  1
  F  F98  1  0.28996900  0.28996900  0.28996900  1
  F  F99  1  0.78995600  0.78995600  0.78995600  1
