data_[Te12Os20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.2809]
_cell_length_b [18.8310]
_cell_length_c [7.5500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Te3Os5]
_chemical_formula_sum '[Te12 Os20]'
_cell_volume [709.5012]
_cell_formula_units_Z [4]
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
[
  Te  Te0  4  0.0096  0.3301  0.9969  1
  Te  Te1  4  0.4268  0.3228  0.5066  1
  Te  Te2  2  0.1344  0.5000  0.9107  1
  Te  Te3  2  0.2167  0.0000  0.0894  1
  Os  Os4  4  0.1159  0.3966  0.6815  1
  Os  Os5  4  0.1481  0.0751  0.7568  1
  Os  Os6  4  0.4025  0.4230  0.2433  1
  Os  Os7  4  0.4484  0.1037  0.3231  1
  Os  Os8  2  0.2662  0.5000  0.4838  1
  Os  Os9  2  0.2798  0.0000  0.5065  1
]