data_BeHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.87
_cell_angle_alpha   106.2
_cell_angle_beta   106.2
_cell_angle_gamma   52.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgSb2
_chemical_formula_sum   'Be1 Hg1 Sb2'
_cell_volume   101.37
_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  0.88  0.0  0.26  1.0
  Sb  Sb2  1  0.9  0.0  0.22  1.0
  Sb  Sb3  1  0.86  0.0  0.3  1.0

data_BeHgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.41
_cell_length_c   6.87
_cell_angle_alpha   106.2
_cell_angle_beta   90.0
_cell_angle_gamma   116.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgSb2
_chemical_formula_sum   'Be1 Hg1 Sb2'
_cell_volume   101.37
_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  0.12  0.74  1.0
  Sb  Sb2  1  0.0  0.1  0.78  1.0
  Sb  Sb3  1  0.0  0.14  0.7  1.0

Be Hg Sb Sb