data_[Th12Co4Te6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2918]
_cell_length_b [4.1498]
_cell_length_c [9.0237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Co2Te3Ru]
_chemical_formula_sum '[Th12 Co4 Te6 Ru2]'
_cell_volume [674.9172]
_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
[
  Th  Th0  4  0.0153  0.0000  0.2271  1
  Th  Th1  4  0.1560  0.5000  0.1145  1
  Th  Th2  4  0.1808  0.5000  0.5548  1
  Co  Co3  4  0.1684  0.0000  0.3353  1
  Te  Te4  4  0.1653  0.0000  0.8315  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  Ru  Ru6  2  0.0000  0.5000  0.0000  1
]