data_BeIn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   7.06
_cell_angle_alpha   103.3
_cell_angle_beta   103.3
_cell_angle_gamma   49.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Hg
_chemical_formula_sum   'Be1 In2 Hg1'
_cell_volume   92.23
_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
  In  In2  1  0.25  0.0  0.32  1.0
  In  In3  1  0.59  0.0  0.51  1.0
  Hg  Hg1  1  0.92  0.0  0.41  1.0

data_BeIn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.21
_cell_length_c   7.06
_cell_angle_alpha   103.3
_cell_angle_beta   90.0
_cell_angle_gamma   114.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Hg
_chemical_formula_sum   'Be1 In2 Hg1'
_cell_volume   92.23
_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
  In  In1  1  0.0  0.41  0.49  1.0
  In  In2  1  0.0  0.75  0.68  1.0
  Hg  Hg3  1  0.0  0.08  0.59  1.0

Be In In Hg