# generated using pymatgen
data_Sc2Be25Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09478609
_cell_length_b   7.13100268
_cell_length_c   7.11441459
_cell_angle_alpha   60.47784399
_cell_angle_beta   60.24582720
_cell_angle_gamma   60.01349133
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Be25Ni
_chemical_formula_sum   'Sc2 Be25 Ni1'
_cell_volume   255.92278326
_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  0.74991521  0.75172981  0.74623488  1.0
  Sc  Sc1  1  0.24787990  0.25376512  0.24827019  1.0
  Be  Be2  1  0.56700217  0.78903527  0.21096473  1.0
  Be  Be3  1  0.20017877  0.44051465  0.55948535  1.0
  Be  Be4  1  0.43560061  0.20774814  0.79225186  1.0
  Be  Be5  1  0.43896259  0.79204244  0.56405211  1.0
  Be  Be6  1  0.56206954  0.43634243  0.79529789  1.0
  Be  Be7  1  0.79505713  0.43594789  0.20795756  1.0
  Be  Be8  1  0.79371086  0.20470211  0.56365757  1.0
  Be  Be9  1  0.20549967  0.56376497  0.79113952  1.0
  Be  Be10  1  0.43818573  0.56315616  0.20412532  1.0
  Be  Be11  1  0.56040516  0.20886048  0.43623503  1.0
  Be  Be12  1  0.20546721  0.79587468  0.43684384  1.0
  Be  Be13  1  0.93759326  0.70673434  0.06405853  1.0
  Be  Be14  1  0.70838612  0.93594147  0.29326566  1.0
  Be  Be15  1  0.06315312  0.29214238  0.93697353  1.0
  Be  Be16  1  0.29226904  0.06302647  0.70785762  1.0
  Be  Be17  1  0.70417318  0.06237297  0.93762703  1.0
  Be  Be18  1  0.06314153  0.93205216  0.71246450  1.0
  Be  Be19  1  0.06553444  0.71315194  0.28684806  1.0
  Be  Be20  1  0.29083691  0.71125609  0.93491223  1.0
  Be  Be21  1  0.93408668  0.28829429  0.71170571  1.0
  Be  Be22  1  0.93700523  0.06508777  0.28874391  1.0
  Be  Be23  1  0.29463940  0.93679223  0.06320777  1.0
  Be  Be24  1  0.70765919  0.28753550  0.06794784  1.0
  Be  Be25  1  0.50194188  0.50084440  0.49915560  1.0
  Be  Be26  1  0.99875209  0.00202329  0.99797671  1.0
  Ni  Ni27  1  0.80089440  0.55926256  0.44073744  1.0