data_[Yb6Os1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8396]
_cell_length_b [7.8396]
_cell_length_c [4.4224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Yb6OsSe2]
_chemical_formula_sum '[Yb6 Os1 Se2]'
_cell_volume [235.3857]
_cell_formula_units_Z [1]
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
[
  Yb  Yb0  3  0.0000  0.2432  0.0000  1
  Yb  Yb1  3  0.0000  0.6043  0.5000  1
  Os  Os2  1  0.0000  0.0000  0.5000  1
  Se  Se3  2  0.3333  0.6667  0.0000  1
]