data_BeGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   4.28
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   105.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaHg2
_chemical_formula_sum   'Be1 Ga1 Hg2'
_cell_volume   80.28
_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  0.36  0.0  0.42  1.0
  Ga  Ga1  1  0.27  0.14  0.44  1.0
  Hg  Hg2  1  0.09  0.0  0.01  1.0
  Hg  Hg3  1  0.14  0.14  0.37  1.0

data_BeGaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.28
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   105.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaHg2
_chemical_formula_sum   'Be1 Ga1 Hg2'
_cell_volume   80.28
_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  0.36  0.0  0.42  1.0
  Ga  Ga1  1  0.27  0.14  0.44  1.0
  Hg  Hg2  1  0.09  0.0  0.01  1.0
  Hg  Hg3  1  0.14  0.14  0.37  1.0

Be Ga Hg Hg