data_BeAg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   131.82
_cell_angle_beta   131.82
_cell_angle_gamma   70.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg2Hg
_chemical_formula_sum   'Be1 Ag2 Hg1'
_cell_volume   67.81
_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  Be2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.08  1.0
  Ag  Ag1  1  0.0  0.04  0.04  1.0
  Hg  Hg3  1  0.04  0.0  0.04  1.0

data_BeAg2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.99
_cell_angle_alpha   114.09
_cell_angle_beta   114.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg2Hg
_chemical_formula_sum   'Be1 Ag2 Hg1'
_cell_volume   67.81
_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  0.0  1.0
  Ag  Ag1  1  0.92  0.0  0.92  1.0
  Ag  Ag2  1  1.0  0.04  1.0  1.0
  Hg  Hg3  1  0.96  0.0  1.0  1.0

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