data_Na2BeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeNi
_chemical_formula_sum   'Na2 Be1 Ni1'
_cell_volume   64.5
_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
  Na  Na1  1  0.25  0.37  0.36  1.0
  Na  Na2  1  0.25  0.63  0.36  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.49  0.0  0.0  1.0

data_Na2BeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.98
_cell_length_c   5.36
_cell_angle_alpha   117.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeNi
_chemical_formula_sum   'Na2 Be1 Ni1'
_cell_volume   64.5
_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
  Na  Na0  1  0.36  0.37  0.62  1.0
  Na  Na1  1  0.36  0.63  0.87  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.49  1.0

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