data_SrBeHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   146.66
_cell_angle_beta   146.66
_cell_angle_gamma   47.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeHg
_chemical_formula_sum   'Sr1 Be1 Hg1'
_cell_volume   71.24
_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  0.0  0.0  0.81  1.0
  Be  Be0  1  0.0  0.0  0.42  1.0
  Hg  Hg1  1  0.0  0.0  0.08  1.0

data_SrBeHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   113.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrBeHg
_chemical_formula_sum   'Sr2 Be2 Hg2'
_cell_volume   142.49
_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  0.31  0.5  0.81  1.0
  Be  Be1  2  0.42  0.0  0.42  1.0
  Hg  Hg2  2  0.08  0.0  0.08  1.0

Sr Be Hg
Sr Be Hg 0 2 o o + 0 1 o o o 1 2 o o o 