data_[Tm4Sn5Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7870]
_cell_length_b [3.5258]
_cell_length_c [9.5891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4Sn5Ru2]
_chemical_formula_sum '[Tm4 Sn5 Ru2]'
_cell_volume [263.0338]
_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  0.1986  0.5000  0.8495  1.0
  Tm  Tm1  2  0.2048  0.5000  0.4313  1.0
  Sn  Sn2  2  0.1410  0.0000  0.1397  1.0
  Sn  Sn3  2  0.4491  0.0000  0.6620  1.0
  Sn  Sn4  1  0.5000  0.0000  0.0000  1.0
  Ru  Ru5  2  0.0839  0.0000  0.6439  1.0
]