data_BeHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   3.95
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   116.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgSb2
_chemical_formula_sum   'Be1 Hg1 Sb2'
_cell_volume   99.55
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.55  0.0  0.0  1.0
  Sb  Sb2  1  0.61  0.97  0.31  1.0
  Sb  Sb3  1  0.04  0.97  0.63  1.0

data_BeHgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   5.11
_cell_length_c   5.52
_cell_angle_alpha   116.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgSb2
_chemical_formula_sum   'Be1 Hg1 Sb2'
_cell_volume   99.55
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.45  -0.0  1.0
  Sb  Sb2  1  0.03  0.39  0.69  1.0
  Sb  Sb3  1  0.03  0.96  0.37  1.0

Be Hg Sb Sb