# generated using pymatgen
data_Be3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58192828
_cell_length_b   4.58191197
_cell_length_c   3.68591688
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99988589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Ni
_chemical_formula_sum   'Be6 Ni2'
_cell_volume   67.01494975
_cell_formula_units_Z   2
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  0.83313998  0.16686302  0.75000100  1.0
  Be  Be1  1  0.33372405  0.16686202  0.75000100  1.0
  Be  Be2  1  0.83313998  0.66627595  0.75000100  1.0
  Be  Be3  1  0.16686102  0.83313898  0.24999900  1.0
  Be  Be4  1  0.66627695  0.83313998  0.24999900  1.0
  Be  Be5  1  0.16686202  0.33372505  0.24999900  1.0
  Ni  Ni6  1  0.66666700  0.33333400  0.24999900  1.0
  Ni  Ni7  1  0.33333400  0.66666800  0.75000100  1.0