data_[Th8Os2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1189]
_cell_length_b [3.9051]
_cell_length_c [9.0893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th4OsBr5]
_chemical_formula_sum '[Th8 Os2 Br10]'
_cell_volume [635.8760]
_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  0.0011  0.0000  0.2120  1
  Th  Th1  4  0.1684  0.5000  0.0477  1
  Os  Os2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1670  0.0000  0.3132  1
  Br  Br4  4  0.1673  0.0000  0.7792  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]