data_BaHg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.34
_cell_angle_alpha   106.95
_cell_angle_beta   106.95
_cell_angle_gamma   60.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHg2B
_chemical_formula_sum   'Ba1 Hg2 B1'
_cell_volume   105.74
_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
  Ba  Ba1  1  0.97  0.0  0.84  1.0
  Hg  Hg2  1  0.02  0.0  0.43  1.0
  Hg  Hg3  1  0.79  0.0  0.36  1.0
  B  B0  1  0.37  0.0  0.74  1.0

data_BaHg2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.32
_cell_angle_alpha   90.6
_cell_angle_beta   106.3
_cell_angle_gamma   119.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHg2B
_chemical_formula_sum   'Ba1 Hg2 B1'
_cell_volume   105.74
_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
  Ba  Ba0  1  0.13  0.0  0.16  1.0
  Hg  Hg1  1  0.43  0.0  0.64  1.0
  Hg  Hg2  1  0.59  0.0  0.57  1.0
  B  B3  1  0.63  0.0  0.26  1.0

Ba Hg Hg B