# generated using pymatgen
data_Be(NbNi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50357350
_cell_length_b   4.64083659
_cell_length_c   6.18374646
_cell_angle_alpha   80.95865273
_cell_angle_beta   82.08635173
_cell_angle_gamma   121.74691300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be(NbNi3)2
_chemical_formula_sum   'Be1 Nb2 Ni6'
_cell_volume   104.73644108
_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
  Be  Be0  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb1  1  0.61625664  0.61783149  0.23160876  1.0
  Nb  Nb2  1  0.38374336  0.38216851  0.76839124  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni4  1  0.31235703  0.99097711  0.15522837  1.0
  Ni  Ni5  1  0.02396450  0.69841590  0.84571762  1.0
  Ni  Ni6  1  0.68764297  0.00902289  0.84477163  1.0
  Ni  Ni7  1  0.97603550  0.30158410  0.15428238  1.0
  Ni  Ni8  1  0.00000000  0.50000000  0.50000000  1.0