data_Be2AgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   19.34
_cell_angle_beta   19.34
_cell_angle_gamma   19.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AgHg
_chemical_formula_sum   'Be2 Ag1 Hg1'
_cell_volume   60.86
_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  Be1  1  0.0  0.0  0.11  1.0
  Be  Be2  1  0.0  0.0  0.64  1.0
  Ag  Ag0  1  0.0  0.0  0.6  1.0
  Hg  Hg3  1  0.0  0.0  0.88  1.0

data_Be2AgHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   101.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2AgHg
_chemical_formula_sum   'Be4 Ag2 Hg2'
_cell_volume   121.72
_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  0.36  1.0
  Be  Be1  2  0.0  0.0  0.89  1.0
  Ag  Ag2  2  0.0  0.0  0.4  1.0
  Hg  Hg3  2  0.0  0.0  0.12  1.0

Be Be Ag Hg
Be Be Ag Hg 0 3 o o - 1 2 o o o 1 3 o o o 2 3 o o o 