data_TlOs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.87
_cell_angle_alpha   99.41
_cell_angle_beta   99.41
_cell_angle_gamma   33.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs2Ru
_chemical_formula_sum   'Tl1 Os2 Ru1'
_cell_volume   64.61
_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  0.29  0.0  0.4  1.0
  Os  Os0  1  0.84  0.0  0.75  1.0
  Os  Os1  1  0.73  0.0  0.04  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TlOs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.87
_cell_length_c   4.92
_cell_angle_alpha   99.41
_cell_angle_beta   106.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs2Ru
_chemical_formula_sum   'Tl1 Os2 Ru1'
_cell_volume   64.61
_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  0.4  0.29  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.04  0.73  1.0
  Os  Os3  1  0.0  0.75  0.84  1.0

Tl Os Os Ru