data_Ba2InHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   8.47
_cell_length_c   8.47
_cell_angle_alpha   35.36
_cell_angle_beta   35.36
_cell_angle_gamma   35.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InHg
_chemical_formula_sum   'Ba2 In1 Hg1'
_cell_volume   181.48
_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  0.0  0.0  0.91  1.0
  Ba  Ba1  1  0.0  0.0  0.71  1.0
  In  In3  1  0.0  0.0  0.89  1.0
  Hg  Hg2  1  0.0  0.0  0.95  1.0

data_Ba2InHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.9
_cell_length_b   5.14
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   110.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2InHg
_chemical_formula_sum   'Ba4 In2 Hg2'
_cell_volume   362.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.29  1.0
  Ba  Ba1  2  -0.0  0.0  0.09  1.0
  In  In2  2  -0.0  0.0  0.11  1.0
  Hg  Hg3  2  -0.0  0.0  0.05  1.0

Ba Ba In Hg