data_[Tm9Co24Ru3]
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 [R3m]
_cell_length_a [4.9607]
_cell_length_b [4.9607]
_cell_length_c [24.3466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm3Co8Ru]
_chemical_formula_sum '[Tm9 Co24 Ru3]'
_cell_volume [518.8614]
_cell_formula_units_Z [3]
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  0.0000  0.0071  1.0
  Tm  Tm1  3  0.0000  0.0000  0.4951  1.0
  Tm  Tm2  3  0.0000  0.0000  0.6240  1.0
  Co  Co3  9  0.0027  0.5014  0.0638  1.0
  Co  Co4  9  0.1676  0.3352  0.8935  1.0
  Co  Co5  3  0.0000  0.0000  0.3118  1.0
  Co  Co6  3  0.0000  0.0000  0.8123  1.0
  Ru  Ru7  3  0.0000  0.0000  0.1276  1.0
]