data_TlHg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   137.7
_cell_angle_beta   115.99
_cell_angle_gamma   79.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHg2P
_chemical_formula_sum   'Tl1 Hg2 P1'
_cell_volume   103.52
_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
  Tl  Tl3  1  0.0  0.0  0.3  1.0
  Hg  Hg0  1  0.02  0.0  0.82  1.0
  Hg  Hg1  1  0.0  0.97  0.48  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TlHg2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   64.01
_cell_angle_beta   68.85
_cell_angle_gamma   68.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHg2P
_chemical_formula_sum   'Tl1 Hg2 P1'
_cell_volume   103.52
_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
  Tl  Tl0  1  0.0  0.0  0.3  1.0
  Hg  Hg1  1  0.0  0.98  0.82  1.0
  Hg  Hg2  1  0.97  0.0  0.51  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Tl Hg Hg P
Tl Hg Hg P 0 2 o - o 1 3 o o + 