data_Be2HgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.9
_cell_angle_alpha   103.16
_cell_angle_beta   103.16
_cell_angle_gamma   52.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgSb
_chemical_formula_sum   'Be2 Hg1 Sb1'
_cell_volume   70.83
_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  0.94  0.0  0.46  1.0
  Be  Be1  1  0.67  0.0  0.24  1.0
  Hg  Hg2  1  0.81  0.0  0.85  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Be2HgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.96
_cell_length_c   5.9
_cell_angle_alpha   103.16
_cell_angle_beta   90.0
_cell_angle_gamma   116.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgSb
_chemical_formula_sum   'Be2 Hg1 Sb1'
_cell_volume   70.83
_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  0.06  0.54  1.0
  Be  Be1  1  0.0  0.33  0.76  1.0
  Hg  Hg2  1  0.0  0.19  0.15  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Be Be Hg Sb
Be Be Hg Sb 0 1 o o o 2 3 + o + 