data_NaBeHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   134.75
_cell_angle_beta   119.44
_cell_angle_gamma   78.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeHg2
_chemical_formula_sum   'Na1 Be1 Hg2'
_cell_volume   83.22
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.61  0.37  1.0
  Hg  Hg2  1  0.99  0.0  0.64  1.0

data_NaBeHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.56
_cell_angle_beta   67.37
_cell_angle_gamma   67.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeHg2
_chemical_formula_sum   'Na1 Be1 Hg2'
_cell_volume   83.22
_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  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.01  0.64  1.0
  Hg  Hg3  1  0.61  0.0  0.76  1.0
