data_[Th16Co6Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8129]
_cell_length_b [7.7265]
_cell_length_c [7.0237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th8Co3Sb2]
_chemical_formula_sum '[Th16 Co6 Sb4]'
_cell_volume [823.4328]
_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  8  0.1000  0.2566  0.3998  1
  Th  Th1  4  0.0915  0.0000  0.8867  1
  Th  Th2  4  0.1064  0.5000  0.9337  1
  Co  Co3  4  0.0000  0.2564  0.0000  1
  Co  Co4  2  0.0000  0.0000  0.5000  1
  Sb  Sb5  4  0.2471  0.0000  0.3148  1
]