data_Be2CdHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.04
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdHg
_chemical_formula_sum   'Be2 Cd1 Hg1'
_cell_volume   63.91
_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  0.81  0.0  0.08  1.0
  Be  Be1  1  0.93  0.02  0.24  1.0
  Cd  Cd2  1  0.29  0.0  0.13  1.0
  Hg  Hg3  1  0.83  0.02  0.87  1.0

data_Be2CdHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.04
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdHg
_chemical_formula_sum   'Be2 Cd1 Hg1'
_cell_volume   63.91
_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  0.81  0.0  0.08  1.0
  Be  Be1  1  0.93  0.02  0.24  1.0
  Cd  Cd2  1  0.29  0.0  0.13  1.0
  Hg  Hg3  1  0.83  0.02  0.87  1.0

Be Be Cd Hg
Be Be Cd Hg 0 1 o o o 0 2 + o o 0 3 o o - 1 2 + o o 