data_SrHgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   5.9
_cell_length_c   3.95
_cell_angle_alpha   78.57
_cell_angle_beta   64.31
_cell_angle_gamma   37.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgB
_chemical_formula_sum   'Sr1 Hg1 B1'
_cell_volume   78.1
_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
  Sr  Sr2  1  0.15  0.31  0.67  1.0
  Hg  Hg1  1  0.15  0.31  0.73  1.0
  B  B0  1  0.15  0.31  0.58  1.0

data_SrHgB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   10.98
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   122.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrHgB
_chemical_formula_sum   'Sr2 Hg2 B2'
_cell_volume   156.2
_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
  Sr  Sr0  2  0.37  0.5  0.18  1.0
  Hg  Hg1  2  0.31  0.5  0.12  1.0
  B  B2  2  0.46  0.5  0.28  1.0

Sr Hg B
Sr Hg B 0 1 o o o 0 2 o o o 