data_BeHgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.54
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   101.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgB2
_chemical_formula_sum   'Be1 Hg1 B2'
_cell_volume   60.22
_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
  Hg  Hg3  1  0.99  0.0  0.74  1.0
  B  B0  1  0.22  0.77  0.4  1.0
  B  B1  1  0.77  0.77  0.09  1.0

data_BeHgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.54
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   101.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgB2
_chemical_formula_sum   'Be1 Hg1 B2'
_cell_volume   60.22
_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
  Hg  Hg1  1  0.99  0.0  0.74  1.0
  B  B2  1  0.22  0.77  0.4  1.0
  B  B3  1  0.77  0.77  0.09  1.0

Be Hg B B