data_[Tl1Mo1P1Os1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3712]
_cell_length_b [4.4822]
_cell_length_c [5.1756]
_cell_angle_alpha [104.6502]
_cell_angle_beta [103.6952]
_cell_angle_gamma [105.2612]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlMoPOsRu]
_chemical_formula_sum '[Tl1 Mo1 P1 Os1 Ru1]'
_cell_volume [89.5072]
_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  0.1186  0.2210  0.8626  1
  Mo  Mo1  1  0.5609  0.5767  0.5987  1
  P  P2  1  0.3653  0.9459  0.3523  1
  Os  Os3  1  0.7543  0.7788  0.1361  1
  Ru  Ru4  1  0.9505  0.3877  0.3623  1
]