data_[Tm2Ag1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7302]
_cell_length_b [3.7302]
_cell_length_c [8.3209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tm2AgRu]
_chemical_formula_sum '[Tm2 Ag1 Ru1]'
_cell_volume [100.2693]
_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
[
  Tm  Tm0  1  0.0000  0.0000  0.8039  1
  Tm  Tm1  1  0.3333  0.6667  0.1941  1
  Ag  Ag2  1  0.0000  0.0000  0.4514  1
  Ru  Ru3  1  0.6667  0.3333  0.9933  1
]