data_Co2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   134.88
_cell_angle_beta   134.88
_cell_angle_gamma   65.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcHg
_chemical_formula_sum   'Co2 Tc1 Hg1'
_cell_volume   55.62
_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
  Co  Co0  1  0.0  0.85  0.03  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.05  1.0
  Hg  Hg2  1  0.85  0.0  0.03  1.0

data_Co2TcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   4.83
_cell_angle_alpha   112.56
_cell_angle_beta   112.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcHg
_chemical_formula_sum   'Co2 Tc1 Hg1'
_cell_volume   55.62
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.18  0.03  0.18  1.0
  Tc  Tc2  1  0.05  0.05  0.05  1.0
  Hg  Hg3  1  0.03  0.18  0.18  1.0

Co Co Tc Hg