data_[Y3Os9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8088]
_cell_length_b [2.8088]
_cell_length_c [29.0348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [YOs3]
_chemical_formula_sum '[Y3 Os9]'
_cell_volume [198.3788]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  -0.0000  -0.0000  0.5000  1
  Os  Os1  6  0.0000  0.0000  0.2593  1
  Os  Os2  3  0.0000  0.0000  0.0000  1
]