data_Tc2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   2.76
_cell_angle_alpha   103.27
_cell_angle_beta   103.27
_cell_angle_gamma   116.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2HgW
_chemical_formula_sum   'Tc2 Hg1 W1'
_cell_volume   65.43
_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
  Tc  Tc1  1  0.83  0.69  0.24  1.0
  Tc  Tc2  1  0.83  0.31  0.24  1.0
  Hg  Hg0  1  0.86  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Tc2HgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.15
_cell_length_c   5.43
_cell_angle_alpha   117.46
_cell_angle_beta   103.27
_cell_angle_gamma   92.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2HgW
_chemical_formula_sum   'Tc2 Hg1 W1'
_cell_volume   65.43
_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
  Tc  Tc0  1  0.55  0.31  0.13  1.0
  Tc  Tc1  1  0.93  0.69  0.52  1.0
  Hg  Hg2  1  0.0  0.0  0.86  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Tc Tc Hg W
Tc Tc Hg W 0 2 o + o 0 2 o + + 0 1 o o o 0 3 + + o 0 3 + + + 1 2 o o o 2 3 + o o 