data_[Y2Si4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4511]
_cell_length_b [4.0672]
_cell_length_c [8.1553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YSi2Os]
_chemical_formula_sum '[Y2 Si4 Os2]'
_cell_volume [144.6845]
_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
[
  Y  Y0  2  0.0825  0.2500  0.2017  1.0
  Si  Si1  2  0.1624  0.7500  0.4921  1.0
  Si  Si2  2  0.4659  0.2500  0.9106  1.0
  Os  Os3  2  0.3831  0.2500  0.6156  1.0
]