data_[Tm12Co42]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9290]
_cell_length_b [4.9290]
_cell_length_c [36.0885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm2Co7]
_chemical_formula_sum '[Tm12 Co42]'
_cell_volume [759.3091]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.0518  1.0
  Tm  Tm1  6  0.0000  0.0000  0.1487  1.0
  Co  Co2  18  0.0007  0.5003  0.8903  1.0
  Co  Co3  9  0.0000  0.5000  0.0000  1.0
  Co  Co4  6  0.0000  0.0000  0.2784  1.0
  Co  Co5  6  0.0000  0.0000  0.3891  1.0
  Co  Co6  3  -0.0000  -0.0000  0.5000  1.0
]