data_BeReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   148.91
_cell_angle_beta   148.91
_cell_angle_gamma   44.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReHg
_chemical_formula_sum   'Be1 Re1 Hg1'
_cell_volume   44.24
_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
  Be  Be0  1  0.0  0.0  0.22  1.0
  Re  Re2  1  0.0  0.0  0.47  1.0
  Hg  Hg1  1  0.0  0.0  0.49  1.0

data_BeReHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   112.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeReHg
_chemical_formula_sum   'Be2 Re2 Hg2'
_cell_volume   88.49
_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
  Be  Be0  2  0.0  0.0  0.78  1.0
  Re  Re1  2  0.0  0.0  0.53  1.0
  Hg  Hg2  2  0.0  0.0  0.51  1.0

Be Re Hg