data_BeGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   155.76
_cell_angle_beta   142.91
_cell_angle_gamma   44.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaHg2
_chemical_formula_sum   'Be1 Ga1 Hg2'
_cell_volume   78.37
_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  0.32  1.0
  Ga  Ga1  1  0.0  0.17  0.28  1.0
  Hg  Hg2  1  0.0  0.0  0.07  1.0
  Hg  Hg3  1  0.43  0.0  0.94  1.0

data_BeGaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.34
_cell_length_c   6.82
_cell_angle_alpha   108.55
_cell_angle_beta   102.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaHg2
_chemical_formula_sum   'Be1 Ga1 Hg2'
_cell_volume   78.37
_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  0.68  0.68  0.68  1.0
  Ga  Ga1  1  0.72  0.89  0.89  1.0
  Hg  Hg2  1  0.49  0.06  0.49  1.0
  Hg  Hg3  1  0.93  0.93  0.93  1.0

Be Ga Hg Hg