data_BeHgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.47
_cell_length_c   3.28
_cell_angle_alpha   79.96
_cell_angle_beta   71.32
_cell_angle_gamma   28.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgSb
_chemical_formula_sum   'Be1 Hg1 Sb1'
_cell_volume   63.11
_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  0.92  0.66  0.34  1.0
  Hg  Hg1  1  0.92  0.66  0.88  1.0
  Sb  Sb2  1  0.92  0.66  0.48  1.0

data_BeHgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.85
_cell_length_b   12.35
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   125.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeHgSb
_chemical_formula_sum   'Be2 Hg2 Sb2'
_cell_volume   126.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.08  0.0  0.74  1.0
  Hg  Hg1  2  0.04  0.5  0.19  1.0
  Sb  Sb2  2  0.44  0.5  0.6  1.0

Be Hg Sb