# generated using pymatgen
data_Be3Si3(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62180252
_cell_length_b   7.97779551
_cell_length_c   13.74174517
_cell_angle_alpha   90.18420090
_cell_angle_beta   89.89205109
_cell_angle_gamma   89.93785121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Si3(NiO6)2
_chemical_formula_sum   'Be12 Si12 Ni8 O48'
_cell_volume   835.56301659
_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
  Be  Be0  1  0.85818200  0.92141900  0.76531000  1.0
  Be  Be1  1  0.64399600  0.93068200  0.40504600  1.0
  Be  Be2  1  0.14402500  0.56948300  0.09510800  1.0
  Be  Be3  1  0.35594900  0.06930700  0.59496200  1.0
  Be  Be4  1  0.85608600  0.43054800  0.90486600  1.0
  Be  Be5  1  0.14077700  0.61134000  0.41765100  1.0
  Be  Be6  1  0.64070700  0.88852400  0.08241300  1.0
  Be  Be7  1  0.85917700  0.38856600  0.58233000  1.0
  Be  Be8  1  0.35935600  0.11136500  0.91762600  1.0
  Be  Be9  1  0.64171500  0.42155200  0.26529900  1.0
  Be  Be10  1  0.14185800  0.07846800  0.23466600  1.0
  Be  Be11  1  0.35824100  0.57834400  0.73464600  1.0
  Si  Si12  1  0.23097200  0.92157100  0.77070800  1.0
  Si  Si13  1  0.73107400  0.57851900  0.72937500  1.0
  Si  Si14  1  0.76897000  0.07839100  0.22932100  1.0
  Si  Si15  1  0.26896500  0.42154100  0.27059300  1.0
  Si  Si16  1  0.73422800  0.11440000  0.92573800  1.0
  Si  Si17  1  0.23397200  0.38571900  0.57428500  1.0
  Si  Si18  1  0.26583400  0.88561200  0.07430600  1.0
  Si  Si19  1  0.76597300  0.61428600  0.42570100  1.0
  Si  Si20  1  0.23591100  0.44950800  0.90326800  1.0
  Si  Si21  1  0.73575300  0.05050900  0.59674400  1.0
  Si  Si22  1  0.76414900  0.55055400  0.09675100  1.0
  Si  Si23  1  0.26418400  0.94949700  0.40328800  1.0
  Ni  Ni24  1  0.44950500  0.24881700  0.09051100  1.0
  Ni  Ni25  1  0.05057900  0.74870700  0.59037500  1.0
  Ni  Ni26  1  0.55049200  0.75121800  0.90951500  1.0
  Ni  Ni27  1  0.94936400  0.25131000  0.40962300  1.0
  Ni  Ni28  1  0.56132900  0.25081000  0.42671800  1.0
  Ni  Ni29  1  0.06114600  0.24943700  0.07307500  1.0
  Ni  Ni30  1  0.43865200  0.74914900  0.57322400  1.0
  Ni  Ni31  1  0.93880900  0.75063600  0.92699900  1.0
  O  O32  1  0.11668900  0.74949900  0.04099900  1.0
  O  O33  1  0.04071100  0.90683700  0.82456000  1.0
  O  O34  1  0.54106800  0.59309200  0.67549300  1.0
  O  O35  1  0.95926200  0.09313000  0.17548400  1.0
  O  O36  1  0.45894500  0.40694200  0.32448300  1.0
  O  O37  1  0.54188700  0.18783300  0.95715400  1.0
  O  O38  1  0.04207200  0.31187400  0.54290600  1.0
  O  O39  1  0.45819100  0.81209800  0.04291500  1.0
  O  O40  1  0.95786600  0.68814300  0.45706700  1.0
  O  O41  1  0.03923300  0.52623700  0.88447600  1.0
  O  O42  1  0.53916000  0.97363800  0.61555800  1.0
  O  O43  1  0.96082900  0.47383300  0.11554900  1.0
  O  O44  1  0.11947000  0.07418000  0.35267800  1.0
  O  O45  1  0.61972400  0.42561100  0.14743900  1.0
  O  O46  1  0.88046200  0.92582800  0.64734400  1.0
  O  O47  1  0.38036900  0.57439300  0.85255100  1.0
  O  O48  1  0.61641100  0.75053400  0.45901100  1.0
  O  O49  1  0.46081300  0.02628200  0.38443200  1.0
  O  O50  1  0.38350100  0.24943900  0.54093900  1.0
  O  O51  1  0.88334500  0.25055100  0.95902800  1.0
  O  O52  1  0.75666500  0.07196600  0.47600900  1.0
  O  O53  1  0.61606500  0.06006600  0.14626200  1.0
  O  O54  1  0.88404700  0.56006900  0.64602500  1.0
  O  O55  1  0.38383800  0.93993200  0.85377500  1.0
  O  O56  1  0.73923000  0.42530100  0.80857000  1.0
  O  O57  1  0.23872300  0.07502500  0.69155800  1.0
  O  O58  1  0.26089400  0.57468600  0.19137600  1.0
  O  O59  1  0.76129000  0.92494700  0.30845500  1.0
  O  O60  1  0.74401600  0.07179400  0.80895200  1.0
  O  O61  1  0.24394800  0.42858200  0.69102900  1.0
  O  O62  1  0.25609200  0.92835600  0.19105100  1.0
  O  O63  1  0.75614600  0.57138400  0.30895700  1.0
  O  O64  1  0.25039000  0.25544600  0.86492500  1.0
  O  O65  1  0.75010200  0.24456100  0.63498400  1.0
  O  O66  1  0.74969000  0.74459200  0.13505600  1.0
  O  O67  1  0.24980600  0.75554800  0.36493400  1.0
  O  O68  1  0.75078700  0.74698600  0.80116000  1.0
  O  O69  1  0.25099600  0.75314900  0.69872500  1.0
  O  O70  1  0.24919800  0.25301900  0.19884300  1.0
  O  O71  1  0.74890000  0.24680700  0.30131200  1.0
  O  O72  1  0.75428200  0.92585200  0.97700500  1.0
  O  O73  1  0.25388900  0.57422700  0.52294200  1.0
  O  O74  1  0.24567200  0.07416200  0.02298600  1.0
  O  O75  1  0.74601200  0.42577100  0.47704300  1.0
  O  O76  1  0.74340100  0.57215000  0.97609600  1.0
  O  O77  1  0.24327500  0.92802200  0.52401900  1.0
  O  O78  1  0.25670500  0.42784800  0.02388600  1.0
  O  O79  1  0.11600600  0.43998900  0.35396200  1.0