data_[Sr1Y1Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1191]
_cell_length_b [3.1191]
_cell_length_c [9.4289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SrYOs2]
_chemical_formula_sum '[Sr1 Y1 Os2]'
_cell_volume [91.7298]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.4432  1
  Y  Y1  1  0.5000  0.5000  0.8219  1
  Os  Os2  1  0.0000  0.0000  0.0419  1
  Os  Os3  1  0.5000  0.5000  0.1929  1
]