data_Be2NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   133.26
_cell_angle_beta   133.26
_cell_angle_gamma   68.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiBi
_chemical_formula_sum   'Be2 Ni1 Bi1'
_cell_volume   56.97
_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  0.0  0.9  0.98  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.96  1.0
  Bi  Bi2  1  0.9  0.0  0.98  1.0

data_Be2NiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   4.78
_cell_angle_alpha   113.37
_cell_angle_beta   113.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiBi
_chemical_formula_sum   'Be2 Ni1 Bi1'
_cell_volume   56.97
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.08  0.98  0.08  1.0
  Ni  Ni2  1  0.96  0.96  0.96  1.0
  Bi  Bi3  1  0.98  0.08  0.08  1.0

Be Be Ni Bi