data_[Tm12Co4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4215]
_cell_length_b [6.9635]
_cell_length_c [11.1676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6Co2Ru]
_chemical_formula_sum '[Tm12 Co4 Ru2]'
_cell_volume [421.8531]
_cell_formula_units_Z [2]
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  4  0.0717  0.0382  0.2405  1
  Tm  Tm1  4  0.2260  0.6663  0.0783  1
  Tm  Tm2  4  0.3955  0.1664  0.0760  1
  Co  Co3  4  0.3300  0.1463  0.7976  1
  Ru  Ru4  2  0.5000  0.0000  0.5000  1
]