data_TcHg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   146.45
_cell_angle_beta   132.0
_cell_angle_gamma   59.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2As
_chemical_formula_sum   'Tc1 Hg2 As1'
_cell_volume   77.47
_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  0.0  0.0  0.99  1.0
  Hg  Hg1  1  0.0  0.34  0.48  1.0
  Hg  Hg2  1  0.66  0.0  0.5  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TcHg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.68
_cell_length_c   5.75
_cell_angle_alpha   114.0
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2As
_chemical_formula_sum   'Tc1 Hg2 As1'
_cell_volume   77.47
_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  0.99  0.99  1.0
  Hg  Hg1  1  0.0  0.5  0.84  1.0
  Hg  Hg2  1  0.66  0.14  0.14  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Tc Hg Hg As