data_[Th6Te2Os2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2734]
_cell_length_b [4.1305]
_cell_length_c [9.6704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th3TeOsCl]
_chemical_formula_sum '[Th6 Te2 Os2 Cl2]'
_cell_volume [368.9656]
_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  2  0.1588  0.7500  0.8547  1
  Th  Th1  2  0.3532  0.2500  0.5668  1
  Th  Th2  2  0.4118  0.2500  0.1524  1
  Te  Te3  2  0.1240  0.7500  0.1811  1
  Os  Os4  2  0.3690  0.2500  0.8495  1
  Cl  Cl5  2  0.1321  0.7500  0.5578  1
]