# generated using pymatgen
data_Sc2Be23Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19313242
_cell_length_b   7.21586239
_cell_length_c   7.18826344
_cell_angle_alpha   60.54396665
_cell_angle_beta   60.23165694
_cell_angle_gamma   59.85072114
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Be23Cu3
_chemical_formula_sum   'Sc2 Be23 Cu3'
_cell_volume   265.05245318
_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
  Sc  Sc0  1  0.74963095  0.75186312  0.75102165  1.0
  Sc  Sc1  1  0.25251572  0.24897835  0.24813688  1.0
  Be  Be2  1  0.43655771  0.20351296  0.79648704  1.0
  Be  Be3  1  0.43691754  0.79584794  0.56447615  1.0
  Be  Be4  1  0.55830366  0.43582831  0.80158831  1.0
  Be  Be5  1  0.79724163  0.43552385  0.20415206  1.0
  Be  Be6  1  0.79572029  0.19841169  0.56417169  1.0
  Be  Be7  1  0.20438644  0.56270602  0.79641789  1.0
  Be  Be8  1  0.43940821  0.56187585  0.19999724  1.0
  Be  Be9  1  0.56351134  0.20358211  0.43729398  1.0
  Be  Be10  1  0.20128131  0.80000276  0.43812415  1.0
  Be  Be11  1  0.93851219  0.71052398  0.06195858  1.0
  Be  Be12  1  0.71099475  0.93804142  0.28947602  1.0
  Be  Be13  1  0.06311701  0.28851160  0.93832039  1.0
  Be  Be14  1  0.28994901  0.06167961  0.71148840  1.0
  Be  Be15  1  0.71152627  0.06841989  0.93158011  1.0
  Be  Be16  1  0.06462698  0.93258979  0.71309807  1.0
  Be  Be17  1  0.06956460  0.71886959  0.28113041  1.0
  Be  Be18  1  0.28902500  0.71282624  0.93278527  1.0
  Be  Be19  1  0.93067541  0.28049342  0.71950658  1.0
  Be  Be20  1  0.93463650  0.06721473  0.28717376  1.0
  Be  Be21  1  0.28795062  0.93703141  0.06296859  1.0
  Be  Be22  1  0.71031483  0.28690193  0.06741021  1.0
  Be  Be23  1  0.50035096  0.50008791  0.49991209  1.0
  Be  Be24  1  0.00011857  0.99972016  0.00027984  1.0
  Cu  Cu25  1  0.80930398  0.55455435  0.44544565  1.0
  Cu  Cu26  1  0.55910936  0.80340746  0.19659254  1.0
  Cu  Cu27  1  0.19475314  0.44099257  0.55900743  1.0