data_[Te4Os6]
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 [P2_1/m]
_cell_length_a [6.4492]
_cell_length_b [4.0448]
_cell_length_c [7.9944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te2Os3]
_chemical_formula_sum '[Te4 Os6]'
_cell_volume [208.0283]
_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
[
  Te  Te0  2  0.2664  0.7500  0.0974  1
  Te  Te1  2  0.3205  0.7500  0.6648  1
  Os  Os2  2  0.0145  0.2500  0.1591  1
  Os  Os3  2  0.0512  0.7500  0.3858  1
  Os  Os4  2  0.3069  0.2500  0.4501  1
]