data_TcHg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2P
_chemical_formula_sum   'Tc1 Hg2 P1'
_cell_volume   76.03
_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  0.55  0.55  0.46  1.0
  Hg  Hg0  1  0.0  0.0  0.57  1.0
  Hg  Hg1  1  0.55  0.55  0.21  1.0
  P  P2  1  0.0  0.0  0.48  1.0

data_TcHg2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcHg2P
_chemical_formula_sum   'Tc2 Hg4 P2'
_cell_volume   152.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.05  0.5  0.46  1.0
  Hg  Hg1  2  0.0  0.0  0.57  1.0
  Hg  Hg2  2  0.05  0.5  0.21  1.0
  P  P3  2  0.0  0.0  0.48  1.0

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