data_Ba2TaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   28.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaHg
_chemical_formula_sum   'Ba2 Ta1 Hg1'
_cell_volume   136.48
_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  0.57  0.0  0.9  1.0
  Ba  Ba1  1  0.0  0.0  0.48  1.0
  Ta  Ta3  1  0.0  0.0  0.23  1.0
  Hg  Hg2  1  0.57  0.0  0.87  1.0

data_Ba2TaHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.15
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   104.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaHg
_chemical_formula_sum   'Ba2 Ta1 Hg1'
_cell_volume   136.48
_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  0.1  0.57  0.1  1.0
  Ba  Ba1  1  0.52  0.0  0.52  1.0
  Ta  Ta2  1  0.77  0.0  0.77  1.0
  Hg  Hg3  1  0.13  0.57  0.13  1.0

Ba Ba Ta Hg