data_NaBe2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   3.84
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Hg
_chemical_formula_sum   'Na1 Be2 Hg1'
_cell_volume   69.53
_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  Na3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.37  0.92  0.12  1.0
  Be  Be1  1  0.37  0.92  0.48  1.0
  Hg  Hg2  1  0.0  0.0  0.3  1.0

data_NaBe2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.84
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Hg
_chemical_formula_sum   'Na1 Be2 Hg1'
_cell_volume   69.53
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.37  0.92  0.12  1.0
  Be  Be2  1  0.37  0.92  0.48  1.0
  Hg  Hg3  1  0.0  0.0  0.3  1.0

Na Be Be Hg
Na Be Be Hg 0 1 o - o 1 3 o + o 2 3 o + o 