data_[Mo2Os2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.7871]
_cell_length_b [3.4022]
_cell_length_c [18.6632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MoOsSe4]
_chemical_formula_sum '[Mo2 Os2 Se8]'
_cell_volume [748.4248]
_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
[
  Mo  Mo0  2  0.3445  0.2500  0.5037  1
  Os  Os1  2  0.1494  0.7500  0.4978  1
  Se  Se2  2  0.0400  0.2500  0.5716  1
  Se  Se3  2  0.2065  0.2500  0.4051  1
  Se  Se4  2  0.2857  0.7500  0.5981  1
  Se  Se5  2  0.4612  0.7500  0.4255  1
]