data_[Si2Te2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3220]
_cell_length_b [3.0932]
_cell_length_c [5.5203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiTeOs2]
_chemical_formula_sum '[Si2 Te2 Os4]'
_cell_volume [139.3541]
_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
[
  Si  Si0  2  0.0265  0.5000  0.6599  1
  Te  Te1  2  0.2399  0.5000  0.2246  1
  Os  Os2  2  0.2409  0.0000  0.6317  1
  Os  Os3  2  0.4927  0.5000  0.9838  1
]