data_TcHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   4.01
_cell_angle_alpha   105.99
_cell_angle_beta   105.99
_cell_angle_gamma   25.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgAs2
_chemical_formula_sum   'Tc1 Hg1 As2'
_cell_volume   79.63
_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  Tc3  1  0.8  0.0  0.0  1.0
  Hg  Hg2  1  0.9  0.0  0.13  1.0
  As  As0  1  0.36  0.0  0.55  1.0
  As  As1  1  0.68  0.0  0.93  1.0

data_TcHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.01
_cell_length_c   6.89
_cell_angle_alpha   105.99
_cell_angle_beta   102.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgAs2
_chemical_formula_sum   'Tc1 Hg1 As2'
_cell_volume   79.63
_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  0.0  0.0  0.8  1.0
  Hg  Hg1  1  0.0  0.13  0.9  1.0
  As  As2  1  0.0  0.55  0.36  1.0
  As  As3  1  0.0  0.93  0.68  1.0

Tc Hg As As