data_Be2TlHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   22.4
_cell_angle_beta   22.4
_cell_angle_gamma   22.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlHg
_chemical_formula_sum   'Be2 Tl1 Hg1'
_cell_volume   73.91
_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  0.43  1.0
  Be  Be1  1  0.0  0.0  0.01  1.0
  Tl  Tl3  1  0.0  0.0  0.43  1.0
  Hg  Hg2  1  0.0  0.0  0.71  1.0

data_Be2TlHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   3.24
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   102.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2TlHg
_chemical_formula_sum   'Be4 Tl2 Hg2'
_cell_volume   147.82
_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  0.57  1.0
  Be  Be1  2  0.0  0.0  0.99  1.0
  Tl  Tl2  2  0.0  0.0  0.57  1.0
  Hg  Hg3  2  0.0  0.0  0.29  1.0
