data_[Th16Co2Tc4]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9547]
_cell_length_b [13.4762]
_cell_length_c [6.3107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Th8CoTc2]
_chemical_formula_sum '[Th16 Co2 Tc4]'
_cell_volume [611.4822]
_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  0.2404  0.1306  0.5966  1
  Th  Th1  4  0.2763  0.3760  0.3618  1
  Th  Th2  4  0.4868  0.2973  0.9825  1
  Th  Th3  2  0.1677  0.5000  0.8028  1
  Th  Th4  2  0.3267  0.0000  0.1577  1
  Co  Co5  2  0.0114  0.0000  0.2218  1
  Tc  Tc6  4  0.0106  0.3072  0.4678  1
]