data_Li2BeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52
_cell_length_b   4.28
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   95.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeNi
_chemical_formula_sum   'Li2 Be1 Ni1'
_cell_volume   43.61
_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
  Li  Li1  1  0.35  0.14  0.01  1.0
  Li  Li2  1  0.79  0.14  0.03  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.07  0.0  0.02  1.0

data_Li2BeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   4.06
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeNi
_chemical_formula_sum   'Li2 Be1 Ni1'
_cell_volume   43.61
_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
  Li  Li0  1  0.21  0.97  0.86  1.0
  Li  Li1  1  0.65  0.99  0.86  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.93  0.98  0.0  1.0

Li Li Be Ni
Li Li Be Ni 0 3 o o o 0 2 o o o 0 1 o o o 1 3 + o o 1 2 + o o 2 3 o o o 