data_TlPRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   154.97
_cell_angle_beta   154.47
_cell_angle_gamma   36.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPRu2
_chemical_formula_sum   'Tl1 P1 Ru2'
_cell_volume   65.91
_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  0.54  0.0  0.05  1.0
  P  P0  1  0.0  0.0  0.51  1.0
  Ru  Ru1  1  0.54  0.0  0.11  1.0
  Ru  Ru2  1  0.0  0.0  0.66  1.0

data_TlPRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.15
_cell_length_c   7.13
_cell_angle_alpha   102.77
_cell_angle_beta   102.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPRu2
_chemical_formula_sum   'Tl1 P1 Ru2'
_cell_volume   65.91
_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  0.05  0.5  1.0
  P  P1  1  0.0  0.51  0.51  1.0
  Ru  Ru2  1  0.0  0.11  0.56  1.0
  Ru  Ru3  1  0.0  0.66  0.66  1.0

Tl P Ru Ru