data_BaLaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   4.11
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   91.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaHg2
_chemical_formula_sum   'Ba1 La1 Hg2'
_cell_volume   132.28
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  La  La3  1  0.87  0.0  0.03  1.0
  Hg  Hg1  1  0.9  0.06  0.27  1.0
  Hg  Hg2  1  0.83  0.06  0.8  1.0

data_BaLaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.11
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   91.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaHg2
_chemical_formula_sum   'Ba1 La1 Hg2'
_cell_volume   132.28
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.87  0.0  0.03  1.0
  Hg  Hg2  1  0.83  0.06  0.8  1.0
  Hg  Hg3  1  0.9  0.06  0.27  1.0

Ba La Hg Hg