data_CrTc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Hg
_chemical_formula_sum   'Cr1 Tc2 Hg1'
_cell_volume   63.13
_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
  Cr  Cr0  1  0.0  0.0  0.72  1.0
  Tc  Tc2  1  0.0  0.0  0.7  1.0
  Tc  Tc3  1  0.56  0.0  0.56  1.0
  Hg  Hg1  1  0.56  0.0  0.32  1.0

data_CrTc2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Hg
_chemical_formula_sum   'Cr1 Tc2 Hg1'
_cell_volume   63.13
_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
  Cr  Cr0  1  0.0  0.0  0.72  1.0
  Tc  Tc1  1  0.0  0.0  0.7  1.0
  Tc  Tc2  1  0.56  0.0  0.56  1.0
  Hg  Hg3  1  0.56  0.0  0.32  1.0

Cr Tc Tc Hg
Cr Tc Tc Hg 0 1 o o o 0 2 o o o 0 2 - o o 1 2 o o o 1 2 - o o 2 3 o o o 3 3 o + o 3 3 + o o 