data_[Tl1Te1Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.1579]
_cell_length_b [4.2818]
_cell_length_c [5.8693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TlTeRu2]
_chemical_formula_sum '[Tl1 Te1 Ru2]'
_cell_volume [79.3598]
_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  0.0000  0.5000  0.5000  1
  Te  Te1  1  0.5000  0.5000  0.0000  1
  Ru  Ru2  2  0.2447  0.0000  0.2015  1
]