data_[Ta4Os2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0790]
_cell_length_b [3.2006]
_cell_length_c [18.6880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2OsS6]
_chemical_formula_sum '[Ta4 Os2 S12]'
_cell_volume [1081.3412]
_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
[
  Ta  Ta0  4  0.1483  0.0000  0.5206  1
  Os  Os1  2  0.0000  0.5000  0.5000  1
  S  S2  4  0.0789  0.5000  0.5987  1
  S  S3  4  0.1053  0.5000  0.4272  1
  S  S4  4  0.2413  0.5000  0.5688  1
]