data_La(TcHg)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   137.43
_cell_angle_beta   137.43
_cell_angle_gamma   61.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(TcHg)2
_chemical_formula_sum   'La1 Tc2 Hg2'
_cell_volume   114.83
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.51  1.0
  Tc  Tc4  1  0.0  0.0  0.36  1.0
  Hg  Hg0  1  0.0  0.3  0.72  1.0
  Hg  Hg1  1  0.3  0.0  0.72  1.0

data_La(TcHg)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   120.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La(TcHg)2
_chemical_formula_sum   'La2 Tc4 Hg4'
_cell_volume   229.66
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.14  0.5  0.64  1.0
  Tc  Tc2  2  0.49  0.0  0.49  1.0
  Hg  Hg3  4  0.43  0.15  0.58  1.0

La Tc Tc Hg Hg
La Tc Tc Hg Hg 0 2 o o o 1 2 o o o 1 3 o o o 1 4 o o o 