data_[Th12Bi2Te6Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4804]
_cell_length_b [4.3015]
_cell_length_c [9.2413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6BiTe3Os2]
_chemical_formula_sum '[Th12 Bi2 Te6 Os4]'
_cell_volume [744.6765]
_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  0.0231  0.0000  0.2669  1
  Th  Th1  4  0.1738  0.5000  0.1354  1
  Th  Th2  4  0.1794  0.5000  0.5605  1
  Bi  Bi3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.1557  0.0000  0.8398  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  Os  Os6  4  0.1707  0.0000  0.3408  1
]