data_[Tm4Zn3Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4602]
_cell_length_b [3.4602]
_cell_length_c [14.0951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tm4Zn3Ru]
_chemical_formula_sum '[Tm4 Zn3 Ru1]'
_cell_volume [168.7566]
_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  2  0.0000  0.0000  0.1140  1
  Tm  Tm1  2  0.0000  0.0000  0.3728  1
  Zn  Zn2  2  0.5000  0.5000  0.2473  1
  Zn  Zn3  1  0.5000  0.5000  0.5000  1
  Ru  Ru4  1  0.5000  0.5000  0.0000  1
]