data_BeNiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   40.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiBi2
_chemical_formula_sum   'Be1 Ni1 Bi2'
_cell_volume   79.89
_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  0.33  1.0
  Ni  Ni3  1  0.93  0.0  0.41  1.0
  Bi  Bi1  1  0.93  0.0  0.19  1.0
  Bi  Bi2  1  0.0  0.0  0.11  1.0

data_BeNiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.92
_cell_length_c   5.62
_cell_angle_alpha   110.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiBi2
_chemical_formula_sum   'Be1 Ni1 Bi2'
_cell_volume   79.89
_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  0.33  0.33  1.0
  Ni  Ni1  1  0.07  0.41  0.41  1.0
  Bi  Bi2  1  0.0  0.11  0.11  1.0
  Bi  Bi3  1  0.07  0.19  0.19  1.0

Be Ni Bi Bi