data_TaInHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   150.36
_cell_angle_beta   140.63
_cell_angle_gamma   50.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInHg
_chemical_formula_sum   'Ta1 In1 Hg1'
_cell_volume   62.42
_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
  Ta  Ta2  1  0.0  0.0  0.06  1.0
  In  In1  1  0.0  0.0  0.47  1.0
  Hg  Hg0  1  0.0  0.0  0.07  1.0

data_TaInHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.94
_cell_length_c   5.85
_cell_angle_alpha   109.69
_cell_angle_beta   104.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInHg
_chemical_formula_sum   'Ta1 In1 Hg1'
_cell_volume   62.42
_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
  Ta  Ta0  1  0.0  0.06  0.06  1.0
  In  In1  1  0.0  0.47  0.47  1.0
  Hg  Hg2  1  0.0  0.07  0.07  1.0

Ta In Hg
Ta In Hg 0 2 o o o 0 1 o o o 1 2 o o o 