data_[Tm3In3Ge2Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2451]
_cell_length_b [7.2451]
_cell_length_c [4.3215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Tm3In3Ge2Ru]
_chemical_formula_sum '[Tm3 In3 Ge2 Ru1]'
_cell_volume [196.4464]
_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  3  0.0000  0.5927  0.0000  1.0
  In  In1  3  0.0000  0.2435  0.5000  1.0
  Ge  Ge2  2  0.3333  0.6667  0.5000  1.0
  Ru  Ru3  1  0.0000  0.0000  0.0000  1.0
]